(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

C25H31N5O2 — CID 25287889

IUPAC(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(CCCN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1
InChIInChI=1S/C25H31N5O2/c1-19-17-20(2)30(28-19)16-6-15-29-14-4-3-8-24(29)25(31)27-21-9-11-22(12-10-21)32-23-7-5-13-26-18-23/h5,7,9-13,17-18,24H,3-4,6,8,14-16H2,1-2H3,(H,27,31)/t24-/m1/s1
InChIKeyPHFDLQQYGAIFDY-XMMPIXPASA-N
MW433.56 g/mol
LogP4.57
Rot. Bonds8

About (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 25287889) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID25287889
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(CCCN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1
InChIInChI=1S/C25H31N5O2/c1-19-17-20(2)30(28-19)16-6-15-29-14-4-3-8-24(29)25(31)27-21-9-11-22(12-10-21)32-23-7-5-13-26-18-23/h5,7,9-13,17-18,24H,3-4,6,8,14-16H2,1-2H3,(H,27,31)/t24-/m1/s1
InChIKeyPHFDLQQYGAIFDY-XMMPIXPASA-N
XLogP4.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 45208265
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42216324
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
CID 97278533
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24794194
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 56790676
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 25287889) is (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is Cc1cc(C)n(CCCN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n1.
What is the InChIKey of (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is PHFDLQQYGAIFDY-XMMPIXPASA-N. The full InChI is InChI=1S/C25H31N5O2/c1-19-17-20(2)30(28-19)16-6-15-29-14-4-3-8-24(29)25(31)27-21-9-11-22(12-10-21)32-23-7-5-13-26-18-23/h5,7,9-13,17-18,24H,3-4,6,8,14-16H2,1-2H3,(H,27,31)/t24-/m1/s1.
What are the key properties of (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 25287889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).