N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide

C20H33N5O — CID 164636438

IUPACN-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cn1
InChIInChI=1S/C20H33N5O/c1-3-19-21-14-18(15-22-19)23-20(26)25-12-8-17(9-13-25)7-11-24-10-5-4-6-16(24)2/h14-17H,3-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyZFOZJAQLDNYKJR-INIZCTEOSA-N
MW359.52 g/mol
LogP3.55
Rot. Bonds5

About N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide

N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 164636438) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID164636438
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cn1
InChIInChI=1S/C20H33N5O/c1-3-19-21-14-18(15-22-19)23-20(26)25-12-8-17(9-13-25)7-11-24-10-5-4-6-16(24)2/h14-17H,3-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyZFOZJAQLDNYKJR-INIZCTEOSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162669973
US11033539, Cpd. No. 21-8
CID 162146805
US11033539, Cpd. No. 21-5
CID 162370378
US11033539, Cpd. No. 21-6
CID 162370379
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
1-propan-2-yl-3-[[(2R,4S,5S)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 40779823
N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146129
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53146179
N-Cyclohexyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146198
N-Cyclopentyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146202
Azepan-1-YL{1-[2-(piperidin-1-YL)pyrimidin-5-YL]piperidin-4-YL}methanone
CID 53146223
(4-Methylpiperidin-1-yl)-[1-(2-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146229

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide (CID 164636438) is N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide is CCc1ncc(NC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is ZFOZJAQLDNYKJR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-19-21-14-18(15-22-19)23-20(26)25-12-8-17(9-13-25)7-11-24-10-5-4-6-16(24)2/h14-17H,3-13H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide?
N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 164636438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).