N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H39N3O — CID 45173463

IUPACN-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C24H39N3O/c1-20(2)10-14-25-24(28)22-9-6-15-27(19-22)23-12-17-26(18-13-23)16-11-21-7-4-3-5-8-21/h3-5,7-8,20,22-23H,6,9-19H2,1-2H3,(H,25,28)
InChIKeyWOWRFUZNTNRYFV-UHFFFAOYSA-N
MW385.60 g/mol
LogP3.57
Rot. Bonds8

About N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45173463) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45173463
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C24H39N3O/c1-20(2)10-14-25-24(28)22-9-6-15-27(19-22)23-12-17-26(18-13-23)16-11-21-7-4-3-5-8-21/h3-5,7-8,20,22-23H,6,9-19H2,1-2H3,(H,25,28)
InChIKeyWOWRFUZNTNRYFV-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96578234
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 45173463) is N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is WOWRFUZNTNRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-20(2)10-14-25-24(28)22-9-6-15-27(19-22)23-12-17-26(18-13-23)16-11-21-7-4-3-5-8-21/h3-5,7-8,20,22-23H,6,9-19H2,1-2H3,(H,25,28).
What are the key properties of N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 385.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).