(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

C21H29N5O3 — CID 97343505

IUPAC(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H29N5O3/c1-14(2)15-6-8-17(9-7-15)23-21(28)26-10-4-5-16(12-26)20-18(11-22-25-20)24-19(27)13-29-3/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyIHFYZRONYFNLDS-INIZCTEOSA-N
MW399.50 g/mol
LogP3.53
Rot. Bonds6

About (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 97343505) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID97343505
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H29N5O3/c1-14(2)15-6-8-17(9-7-15)23-21(28)26-10-4-5-16(12-26)20-18(11-22-25-20)24-19(27)13-29-3/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyIHFYZRONYFNLDS-INIZCTEOSA-N
XLogP3.53
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474520
N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 75474239
2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343992
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 129324417

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (CID 97343505) is (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is COCC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is IHFYZRONYFNLDS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14(2)15-6-8-17(9-7-15)23-21(28)26-10-4-5-16(12-26)20-18(11-22-25-20)24-19(27)13-29-3/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97343505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).