(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide

C17H28N4O2 — CID 95620266

IUPAC(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
SMILESCc1cnn(CCC(=O)N2CCCC[C@@H]2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H28N4O2/c1-13-11-18-20(12-13)10-8-15(22)21-9-6-5-7-14(21)16(23)19-17(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeySUBSCMAQLKVZTI-CQSZACIVSA-N
MW320.44 g/mol
LogP1.88
Rot. Bonds4

About (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide

(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide (PubChem CID 95620266) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
PubChem CID95620266
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
SMILESCc1cnn(CCC(=O)N2CCCC[C@@H]2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H28N4O2/c1-13-11-18-20(12-13)10-8-15(22)21-9-6-5-7-14(21)16(23)19-17(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeySUBSCMAQLKVZTI-CQSZACIVSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95340012
1-[3-(2-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483260
N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 71852909
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95779656
N-[3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56779064
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95579710
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide (CID 95620266) is (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide is Cc1cnn(CCC(=O)N2CCCC[C@@H]2C(=O)NC(C)(C)C)c1.
What is the InChIKey of (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide?
The InChIKey is SUBSCMAQLKVZTI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-18-20(12-13)10-8-15(22)21-9-6-5-7-14(21)16(23)19-17(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide?
(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 95620266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).