(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

C19H27N3O3 — CID 97283810

IUPAC(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC[C@@H]2CO)cccc1C(=O)N1CCCC1
InChIInChI=1S/C19H27N3O3/c1-14-16(18(24)21-10-4-5-11-21)8-6-9-17(14)20-19(25)22-12-3-2-7-15(22)13-23/h6,8-9,15,23H,2-5,7,10-13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyXIUBMDGMCMWCNU-OAHLLOKOSA-N
MW345.44 g/mol
LogP2.61
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (PubChem CID 97283810) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
PubChem CID97283810
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC[C@@H]2CO)cccc1C(=O)N1CCCC1
InChIInChI=1S/C19H27N3O3/c1-14-16(18(24)21-10-4-5-11-21)8-6-9-17(14)20-19(25)22-12-3-2-7-15(22)13-23/h6,8-9,15,23H,2-5,7,10-13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyXIUBMDGMCMWCNU-OAHLLOKOSA-N
XLogP2.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 166202579
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
(3-amino-2-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209984
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
[2-(hydroxymethyl)azepan-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 116635542
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (CID 97283810) is (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is Cc1c(NC(=O)N2CCCC[C@@H]2CO)cccc1C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is XIUBMDGMCMWCNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-16(18(24)21-10-4-5-11-21)8-6-9-17(14)20-19(25)22-12-3-2-7-15(22)13-23/h6,8-9,15,23H,2-5,7,10-13H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97283810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).