N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide

C19H29N3O2 — CID 119766222

IUPACN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
SMILESCCC(C)C(N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-3-14(2)17(20)19(24)22-11-7-8-15(13-22)12-21-18(23)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,3,7-8,11-13,20H2,1-2H3,(H,21,23)
InChIKeyHVKHJEQRQOJZDS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds6

About N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide

N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide (PubChem CID 119766222) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
PubChem CID119766222
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
SMILESCCC(C)C(N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-3-14(2)17(20)19(24)22-11-7-8-15(13-22)12-21-18(23)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,3,7-8,11-13,20H2,1-2H3,(H,21,23)
InChIKeyHVKHJEQRQOJZDS-UHFFFAOYSA-N
XLogP2.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]acetamide
CID 119746034
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide (CID 119766222) is N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide is CCC(C)C(N)C(=O)N1CCCC(CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is HVKHJEQRQOJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-14(2)17(20)19(24)22-11-7-8-15(13-22)12-21-18(23)16-9-5-4-6-10-16/h4-6,9-10,14-15,17H,3,7-8,11-13,20H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide?
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 119766222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).