1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide

C22H34N4O2 — CID 119853096

IUPAC1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCCNC1
InChIInChI=1S/C22H34N4O2/c1-16(19-5-3-9-24-14-19)12-21(27)25-20-6-2-4-17(13-20)15-26-10-7-18(8-11-26)22(23)28/h2,4,6,13,16,18-19,24H,3,5,7-12,14-15H2,1H3,(H2,23,28)(H,25,27)
InChIKeyYZOKVKBNONLZQM-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.35
Rot. Bonds7

About 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide

1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119853096) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119853096
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCCNC1
InChIInChI=1S/C22H34N4O2/c1-16(19-5-3-9-24-14-19)12-21(27)25-20-6-2-4-17(13-20)15-26-10-7-18(8-11-26)22(23)28/h2,4,6,13,16,18-19,24H,3,5,7-12,14-15H2,1H3,(H2,23,28)(H,25,27)
InChIKeyYZOKVKBNONLZQM-UHFFFAOYSA-N
XLogP2.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722905
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide (CID 119853096) is 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide is CC(CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCCNC1.
What is the InChIKey of 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YZOKVKBNONLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(19-5-3-9-24-14-19)12-21(27)25-20-6-2-4-17(13-20)15-26-10-7-18(8-11-26)22(23)28/h2,4,6,13,16,18-19,24H,3,5,7-12,14-15H2,1H3,(H2,23,28)(H,25,27).
What are the key properties of 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide?
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119853096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).