N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide

C20H29N5O2 — CID 126433394

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(C2(O)CCN(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CC2)nc1
InChIInChI=1S/C20H29N5O2/c1-14-5-6-18(21-12-14)20(27)7-9-24(10-8-20)19(26)22-16(3)13-25-17(4)11-15(2)23-25/h5-6,11-12,16,27H,7-10,13H2,1-4H3,(H,22,26)/t16-/m0/s1
InChIKeyWPZMIFPRAVFYPR-INIZCTEOSA-N
MW371.49 g/mol
LogP2.29
Rot. Bonds4

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 126433394) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID126433394
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(C2(O)CCN(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CC2)nc1
InChIInChI=1S/C20H29N5O2/c1-14-5-6-18(21-12-14)20(27)7-9-24(10-8-20)19(26)22-16(3)13-25-17(4)11-15(2)23-25/h5-6,11-12,16,27H,7-10,13H2,1-4H3,(H,22,26)/t16-/m0/s1
InChIKeyWPZMIFPRAVFYPR-INIZCTEOSA-N
XLogP2.29
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 126441610
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95212754
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate
CID 23071766
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide (CID 126433394) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide is Cc1ccc(C2(O)CCN(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CC2)nc1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is WPZMIFPRAVFYPR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-5-6-18(21-12-14)20(27)7-9-24(10-8-20)19(26)22-16(3)13-25-17(4)11-15(2)23-25/h5-6,11-12,16,27H,7-10,13H2,1-4H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 126433394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).