N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide

C19H31N5O — CID 110249083

IUPACN-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)c1ncc(CN2CCCC(C)(C(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C19H31N5O/c1-19(17(25)22-16-7-4-5-8-16)9-6-10-24(14-19)13-15-11-20-18(21-12-15)23(2)3/h11-12,16H,4-10,13-14H2,1-3H3,(H,22,25)
InChIKeyNLPLOGBERJSQBH-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.20
Rot. Bonds5

About N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide

N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 110249083) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID110249083
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)c1ncc(CN2CCCC(C)(C(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C19H31N5O/c1-19(17(25)22-16-7-4-5-8-16)9-6-10-24(14-19)13-15-11-20-18(21-12-15)23(2)3/h11-12,16H,4-10,13-14H2,1-3H3,(H,22,25)
InChIKeyNLPLOGBERJSQBH-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 110249101
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 99937329
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
CID 92632445
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide (CID 110249083) is N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide is CN(C)c1ncc(CN2CCCC(C)(C(=O)NC3CCCC3)C2)cn1.
What is the InChIKey of N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is NLPLOGBERJSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(17(25)22-16-7-4-5-8-16)9-6-10-24(14-19)13-15-11-20-18(21-12-15)23(2)3/h11-12,16H,4-10,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide?
N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110249083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).