N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride

C19H30ClN3O2 — CID 119721491

IUPACN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)12-17(20)19(24)22-10-8-15(9-11-22)21-18(23)16-7-5-4-6-14(16)3;/h4-7,13,15,17H,8-12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1
InChIKeyCHAFMMPQPAGGHD-LMOVPXPDSA-N
MW367.92 g/mol
LogP2.51
Rot. Bonds5

About N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride (PubChem CID 119721491) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
PubChem CID119721491
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)12-17(20)19(24)22-10-8-15(9-11-22)21-18(23)16-7-5-4-6-14(16)3;/h4-7,13,15,17H,8-12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1
InChIKeyCHAFMMPQPAGGHD-LMOVPXPDSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771781
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218532
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride (CID 119721491) is N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl.
What is the InChIKey of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is CHAFMMPQPAGGHD-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)12-17(20)19(24)22-10-8-15(9-11-22)21-18(23)16-7-5-4-6-14(16)3;/h4-7,13,15,17H,8-12,20H2,1-3H3,(H,21,23);1H/t17-;/m0./s1.
What are the key properties of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride?
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119721491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).