N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide

C17H29N3O2 — CID 131924742

IUPACN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCN(CC(=O)N2CCCC2)C1)C1CCC1
InChIInChI=1S/C17H29N3O2/c21-16(20-9-1-2-10-20)13-19-8-4-5-14(12-19)11-18-17(22)15-6-3-7-15/h14-15H,1-13H2,(H,18,22)
InChIKeyIHLWOOMLFLJZQX-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.24
Rot. Bonds5

About N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide

N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 131924742) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID131924742
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCN(CC(=O)N2CCCC2)C1)C1CCC1
InChIInChI=1S/C17H29N3O2/c21-16(20-9-1-2-10-20)13-19-8-4-5-14(12-19)11-18-17(22)15-6-3-7-15/h14-15H,1-13H2,(H,18,22)
InChIKeyIHLWOOMLFLJZQX-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 60512609
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
1-[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]piperidine-4-carbohydrazide
CID 63569165
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 164638875
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide (CID 131924742) is N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide is O=C(NCC1CCCN(CC(=O)N2CCCC2)C1)C1CCC1.
What is the InChIKey of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is IHLWOOMLFLJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(20-9-1-2-10-20)13-19-8-4-5-14(12-19)11-18-17(22)15-6-3-7-15/h14-15H,1-13H2,(H,18,22).
What are the key properties of N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 131924742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).