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

C19H27N3O2 — CID 119313487

IUPACN-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
SMILESNC1(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)CCCC1
InChIInChI=1S/C19H27N3O2/c20-19(10-4-5-11-19)18(24)22-12-6-7-15(14-22)13-21-17(23)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,20H2,(H,21,23)
InChIKeyZTBXFDUQDKVLKB-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.93
Rot. Bonds4

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

N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 119313487) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID119313487
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
SMILESNC1(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)CCCC1
InChIInChI=1S/C19H27N3O2/c20-19(10-4-5-11-19)18(24)22-12-6-7-15(14-22)13-21-17(23)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,20H2,(H,21,23)
InChIKeyZTBXFDUQDKVLKB-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide (CID 119313487) is N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide is NC1(C(=O)N2CCCC(CNC(=O)c3ccccc3)C2)CCCC1.
What is the InChIKey of N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is ZTBXFDUQDKVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-19(10-4-5-11-19)18(24)22-12-6-7-15(14-22)13-21-17(23)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,20H2,(H,21,23).
What are the key properties of N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide?
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 119313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).