1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide

C17H30N4O3 — CID 23456665

IUPAC1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
SMILESCC(=O)C(CN1CCCC(C(N)=O)C1)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C17H30N4O3/c1-12(22)15(10-20-6-2-4-13(8-20)16(18)23)11-21-7-3-5-14(9-21)17(19)24/h13-15H,2-11H2,1H3,(H2,18,23)(H2,19,24)
InChIKeyCYJMQNDXQQFRSU-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.41
Rot. Bonds7

About 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide

1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide (PubChem CID 23456665) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
PubChem CID23456665
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide
SMILESCC(=O)C(CN1CCCC(C(N)=O)C1)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C17H30N4O3/c1-12(22)15(10-20-6-2-4-13(8-20)16(18)23)11-21-7-3-5-14(9-21)17(19)24/h13-15H,2-11H2,1H3,(H2,18,23)(H2,19,24)
InChIKeyCYJMQNDXQQFRSU-UHFFFAOYSA-N
XLogP-0.41
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
CID 65443827
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
1-(2-methylbut-2-enyl)piperidine-3-carboxamide
CID 2845933
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide (CID 23456665) is 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide is CC(=O)C(CN1CCCC(C(N)=O)C1)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide?
The InChIKey is CYJMQNDXQQFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(22)15(10-20-6-2-4-13(8-20)16(18)23)11-21-7-3-5-14(9-21)17(19)24/h13-15H,2-11H2,1H3,(H2,18,23)(H2,19,24).
What are the key properties of 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide?
1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-carbamoylpiperidin-1-yl)methyl]-3-oxobutyl]piperidine-3-carboxamide is sourced from PubChem (CID 23456665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).