N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide

C25H41FN4O — CID 42396155

IUPACN-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C25H41FN4O/c1-4-28-14-11-22(12-15-28)25(31)30(17-16-27(2)3)19-21-8-7-13-29(18-21)20-23-9-5-6-10-24(23)26/h5-6,9-10,21-22H,4,7-8,11-20H2,1-3H3/t21-/m1/s1
InChIKeyNYMQFHJEBGCGAI-OAQYLSRUSA-N
MW432.63 g/mol
LogP3.16
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 42396155) has the molecular formula C25H41FN4O and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID42396155
Molecular FormulaC25H41FN4O
Molecular Weight432.63 g/mol
Exact Mass432.33
IUPAC NameN-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C25H41FN4O/c1-4-28-14-11-22(12-15-28)25(31)30(17-16-27(2)3)19-21-8-7-13-29(18-21)20-23-9-5-6-10-24(23)26/h5-6,9-10,21-22H,4,7-8,11-20H2,1-3H3/t21-/m1/s1
InChIKeyNYMQFHJEBGCGAI-OAQYLSRUSA-N
XLogP3.16
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
CID 45211956
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25306733
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]pent-4-enamide
CID 45225577
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25283890
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide (CID 42396155) is N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide is CCN1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NYMQFHJEBGCGAI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H41FN4O/c1-4-28-14-11-22(12-15-28)25(31)30(17-16-27(2)3)19-21-8-7-13-29(18-21)20-23-9-5-6-10-24(23)26/h5-6,9-10,21-22H,4,7-8,11-20H2,1-3H3/t21-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42396155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).