N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide

C16H26N2O — CID 164637885

IUPACN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCCC#CCN1CCC[C@H](CNC(=O)C2CCC2)C1
InChIInChI=1S/C16H26N2O/c1-2-3-4-10-18-11-6-7-14(13-18)12-17-16(19)15-8-5-9-15/h14-15H,2,5-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyWVIVTCBIKBAKJK-CQSZACIVSA-N
MW262.40 g/mol
LogP2.03
Rot. Bonds4

About N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide

N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 164637885) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID164637885
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCCC#CCN1CCC[C@H](CNC(=O)C2CCC2)C1
InChIInChI=1S/C16H26N2O/c1-2-3-4-10-18-11-6-7-14(13-18)12-17-16(19)15-8-5-9-15/h14-15H,2,5-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyWVIVTCBIKBAKJK-CQSZACIVSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542
2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
CID 131915595
2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
CID 131898207
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 164638875
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 95189957

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide (CID 164637885) is N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide is CCC#CCN1CCC[C@H](CNC(=O)C2CCC2)C1.
What is the InChIKey of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is WVIVTCBIKBAKJK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-4-10-18-11-6-7-14(13-18)12-17-16(19)15-8-5-9-15/h14-15H,2,5-13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 164637885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).