(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

C25H36N6O — CID 95085920

IUPAC(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCCN1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1
InChIInChI=1S/C25H36N6O/c1-2-11-29-14-16-30(17-15-29)13-10-26-24(32)22-9-6-12-31(20-22)25-27-18-23(19-28-25)21-7-4-3-5-8-21/h3-5,7-8,18-19,22H,2,6,9-17,20H2,1H3,(H,26,32)/t22-/m1/s1
InChIKeyBTLHSQZJJBJSAK-JOCHJYFZSA-N
MW436.60 g/mol
LogP2.50
Rot. Bonds8

About (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 95085920) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID95085920
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCCN1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1
InChIInChI=1S/C25H36N6O/c1-2-11-29-14-16-30(17-15-29)13-10-26-24(32)22-9-6-12-31(20-22)25-27-18-23(19-28-25)21-7-4-3-5-8-21/h3-5,7-8,18-19,22H,2,6,9-17,20H2,1H3,(H,26,32)/t22-/m1/s1
InChIKeyBTLHSQZJJBJSAK-JOCHJYFZSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
N-[2-(azepan-1-yl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107069
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829
(3R)-N-[2-(azepan-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085821
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
N-butyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107070
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-hexylpiperidine-3-carboxamide
CID 93070695
N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107035
(3R)-N-(2-ethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085848
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107179

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (CID 95085920) is (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is CCCN1CCN(CCNC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)CC1.
What is the InChIKey of (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is BTLHSQZJJBJSAK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H36N6O/c1-2-11-29-14-16-30(17-15-29)13-10-26-24(32)22-9-6-12-31(20-22)25-27-18-23(19-28-25)21-7-4-3-5-8-21/h3-5,7-8,18-19,22H,2,6,9-17,20H2,1H3,(H,26,32)/t22-/m1/s1.
What are the key properties of (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95085920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).