benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate

C20H30N2O3 — CID 59515941

IUPACbenzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-4-15(2)18(20(24)25-14-16-10-6-5-7-11-16)21-19(23)17-12-8-9-13-22(17)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeyNCVGXUNZYZFFBG-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.74
Rot. Bonds7

About benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate

benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate (PubChem CID 59515941) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namebenzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
PubChem CID59515941
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namebenzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
SMILESCCC(C)C(NC(=O)C1CCCCN1C)C(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-4-15(2)18(20(24)25-14-16-10-6-5-7-11-16)21-19(23)17-12-8-9-13-22(17)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeyNCVGXUNZYZFFBG-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
benzyl (2R)-2-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 92842574
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
benzyl (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 150631043
[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
CID 171546002
benzyl (2S)-2-[[(2S)-1-[(2-ethoxy-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 21142141
(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 144755354
benzyl 2-(chloromethoxycarbonylamino)-3-methylpentanoate
CID 69427612
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
methyl (3S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-1-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanoate
CID 163199667
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate?
The IUPAC name of benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate (CID 59515941) is benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate?
The canonical SMILES for benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate is CCC(C)C(NC(=O)C1CCCCN1C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate?
The InChIKey is NCVGXUNZYZFFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-15(2)18(20(24)25-14-16-10-6-5-7-11-16)21-19(23)17-12-8-9-13-22(17)3/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23).
What are the key properties of benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate?
benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate has a molecular weight of 346.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 59515941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).