N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide

C18H26N2O2 — CID 71853667

IUPACN-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC=CC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-1-2-8-15)19-12-14-6-5-11-20(13-14)18(22)16-9-3-4-10-16/h1-4,14-16H,5-13H2,(H,19,21)/t14-/m0/s1
InChIKeyYTOGVHGRQJBWEC-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds4

About N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide

N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71853667) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID71853667
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC=CC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-1-2-8-15)19-12-14-6-5-11-20(13-14)18(22)16-9-3-4-10-16/h1-4,14-16H,5-13H2,(H,19,21)/t14-/m0/s1
InChIKeyYTOGVHGRQJBWEC-AWEZNQCLSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[[(3R)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97280066
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
(1S,6R)-6-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962327

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 71853667) is N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide is O=C(NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC=CC1.
What is the InChIKey of N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is YTOGVHGRQJBWEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(15-7-1-2-8-15)19-12-14-6-5-11-20(13-14)18(22)16-9-3-4-10-16/h1-4,14-16H,5-13H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71853667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).