(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide

C19H27N5O — CID 97228827

IUPAC(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)Cn1cccn1
InChIInChI=1S/C19H27N5O/c1-16(14-24-12-6-10-21-24)13-20-19(25)23-11-5-9-18(15-23)22-17-7-3-2-4-8-17/h2-4,6-8,10,12,16,18,22H,5,9,11,13-15H2,1H3,(H,20,25)/t16-,18-/m1/s1
InChIKeyLRLRSDIVJZSHKV-SJLPKXTDSA-N
MW341.46 g/mol
LogP2.81
Rot. Bonds6

About (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide

(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide (PubChem CID 97228827) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
PubChem CID97228827
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)Cn1cccn1
InChIInChI=1S/C19H27N5O/c1-16(14-24-12-6-10-21-24)13-20-19(25)23-11-5-9-18(15-23)22-17-7-3-2-4-8-17/h2-4,6-8,10,12,16,18,22H,5,9,11,13-15H2,1H3,(H,20,25)/t16-,18-/m1/s1
InChIKeyLRLRSDIVJZSHKV-SJLPKXTDSA-N
XLogP2.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,4-diazepane-1-carboxamide
CID 86802773
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 60569660
5,8-difluoro-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97005865
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97317829
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide (CID 97228827) is (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)Cn1cccn1.
What is the InChIKey of (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?
The InChIKey is LRLRSDIVJZSHKV-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16(14-24-12-6-10-21-24)13-20-19(25)23-11-5-9-18(15-23)22-17-7-3-2-4-8-17/h2-4,6-8,10,12,16,18,22H,5,9,11,13-15H2,1H3,(H,20,25)/t16-,18-/m1/s1.
What are the key properties of (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide?
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 97228827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).