N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide

C23H26N2O2 — CID 126814045

IUPACN-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCCN(C(=O)C2(c3ccccc3)CC2)C1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-21(19-9-3-1-4-10-19)24-16-18-8-7-15-25(17-18)22(27)23(13-14-23)20-11-5-2-6-12-20/h1-6,9-12,18H,7-8,13-17H2,(H,24,26)
InChIKeyWVYDAMKPSPQNNC-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.39
Rot. Bonds5

About N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide

N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 126814045) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID126814045
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCCN(C(=O)C2(c3ccccc3)CC2)C1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-21(19-9-3-1-4-10-19)24-16-18-8-7-15-25(17-18)22(27)23(13-14-23)20-11-5-2-6-12-20/h1-6,9-12,18H,7-8,13-17H2,(H,24,26)
InChIKeyWVYDAMKPSPQNNC-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
N-cyclopropyl-4-[[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methoxy]benzamide
CID 95097877
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide (CID 126814045) is N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide is O=C(NCC1CCCN(C(=O)C2(c3ccccc3)CC2)C1)c1ccccc1.
What is the InChIKey of N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is WVYDAMKPSPQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-21(19-9-3-1-4-10-19)24-16-18-8-7-15-25(17-18)22(27)23(13-14-23)20-11-5-2-6-12-20/h1-6,9-12,18H,7-8,13-17H2,(H,24,26).
What are the key properties of N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide?
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126814045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).