N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C24H34FN3O3 — CID 45247325

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C24H34FN3O3/c1-26(2)13-14-28(24(29)23-11-10-21(31-23)18-30-3)16-19-7-6-12-27(15-19)17-20-8-4-5-9-22(20)25/h4-5,8-11,19H,6-7,12-18H2,1-3H3
InChIKeyPBHFVFDKZZEEFC-UHFFFAOYSA-N
MW431.55 g/mol
LogP3.48
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 45247325) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID45247325
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C24H34FN3O3/c1-26(2)13-14-28(24(29)23-11-10-21(31-23)18-30-3)16-19-7-6-12-27(15-19)17-20-8-4-5-9-22(20)25/h4-5,8-11,19H,6-7,12-18H2,1-3H3
InChIKeyPBHFVFDKZZEEFC-UHFFFAOYSA-N
XLogP3.48
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
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]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-methoxy-4-methylbenzamide
CID 42380736
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
methyl 5-[2-(dimethylamino)ethyl-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]amino]-5-oxopentanoate
CID 25478516
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide
CID 45172593

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 45247325) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is PBHFVFDKZZEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-26(2)13-14-28(24(29)23-11-10-21(31-23)18-30-3)16-19-7-6-12-27(15-19)17-20-8-4-5-9-22(20)25/h4-5,8-11,19H,6-7,12-18H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 431.55 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 45247325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).