N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide

C18H24N2O — CID 131929470

IUPACN-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
SMILESCCC#CCN1CCC(CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-3-7-12-20-13-10-16(11-14-20)15-19-18(21)17-8-5-4-6-9-17/h4-6,8-9,16H,2,10-15H2,1H3,(H,19,21)
InChIKeyTVEKERXWNOLATQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.54
Rot. Bonds4

About N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide

N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide (PubChem CID 131929470) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
PubChem CID131929470
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
SMILESCCC#CCN1CCC(CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-3-7-12-20-13-10-16(11-14-20)15-19-18(21)17-8-5-4-6-9-17/h4-6,8-9,16H,2,10-15H2,1H3,(H,19,21)
InChIKeyTVEKERXWNOLATQ-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
CID 131898207
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131907713
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749

Frequently Asked Questions

What is the IUPAC name of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide (CID 131929470) is N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide is CCC#CCN1CCC(CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide?
The InChIKey is TVEKERXWNOLATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-7-12-20-13-10-16(11-14-20)15-19-18(21)17-8-5-4-6-9-17/h4-6,8-9,16H,2,10-15H2,1H3,(H,19,21).
What are the key properties of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide?
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide has a molecular weight of 284.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 131929470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).