1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide

C19H30N4O2 — CID 119894122

IUPAC1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(20)19(25)23-11-8-17(9-12-23)18(24)21-10-13-22(2)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,20H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyYGYFCEBLICLZTP-OAHLLOKOSA-N
MW346.47 g/mol
LogP0.82
Rot. Bonds7

About 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide

1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 119894122) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
PubChem CID119894122
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(20)19(25)23-11-8-17(9-12-23)18(24)21-10-13-22(2)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,20H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyYGYFCEBLICLZTP-OAHLLOKOSA-N
XLogP0.82
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide
CID 166376823

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide (CID 119894122) is 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide is C[C@@H](N)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is YGYFCEBLICLZTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(20)19(25)23-11-8-17(9-12-23)18(24)21-10-13-22(2)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,20H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide?
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119894122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).