(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide

C20H27N5O — CID 31073994

IUPAC(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)C1
InChIInChI=1S/C20H27N5O/c21-20(26)16-4-2-10-25(14-16)17-7-11-24(12-8-17)18-5-1-3-15(13-18)19-6-9-22-23-19/h1,3,5-6,9,13,16-17H,2,4,7-8,10-12,14H2,(H2,21,26)(H,22,23)/t16-/m1/s1
InChIKeyJTDAFWHZIVAMQV-MRXNPFEDSA-N
MW353.47 g/mol
LogP2.24
Rot. Bonds4

About (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide

(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 31073994) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID31073994
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)C1
InChIInChI=1S/C20H27N5O/c21-20(26)16-4-2-10-25(14-16)17-7-11-24(12-8-17)18-5-1-3-15(13-18)19-6-9-22-23-19/h1,3,5-6,9,13,16-17H,2,4,7-8,10-12,14H2,(H2,21,26)(H,22,23)/t16-/m1/s1
InChIKeyJTDAFWHZIVAMQV-MRXNPFEDSA-N
XLogP2.24
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepane
CID 31105427
4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine
CID 31016874
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090086
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
2-[3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazole
CID 56855156
1-(4-oxocyclohexyl)piperidine-3-carboxamide
CID 114761991
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 30957525
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 30897505

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide (CID 31073994) is (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)C1.
What is the InChIKey of (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is JTDAFWHZIVAMQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O/c21-20(26)16-4-2-10-25(14-16)17-7-11-24(12-8-17)18-5-1-3-15(13-18)19-6-9-22-23-19/h1,3,5-6,9,13,16-17H,2,4,7-8,10-12,14H2,(H2,21,26)(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide?
(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 31073994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).