(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide

C17H28N4O3 — CID 97153259

IUPAC(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCCn1ncc(C(=O)N2CCC[C@H](C(=O)NCCCO)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-3-8-21-13(2)15(11-19-21)17(24)20-9-4-6-14(12-20)16(23)18-7-5-10-22/h11,14,22H,3-10,12H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyFEMRTGCGYWOAAP-AWEZNQCLSA-N
MW336.44 g/mol
LogP0.95
Rot. Bonds7

About (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide

(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 97153259) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID97153259
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCCn1ncc(C(=O)N2CCC[C@H](C(=O)NCCCO)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-3-8-21-13(2)15(11-19-21)17(24)20-9-4-6-14(12-20)16(23)18-7-5-10-22/h11,14,22H,3-10,12H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyFEMRTGCGYWOAAP-AWEZNQCLSA-N
XLogP0.95
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide (CID 97153259) is (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide is CCCn1ncc(C(=O)N2CCC[C@H](C(=O)NCCCO)C2)c1C.
What is the InChIKey of (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is FEMRTGCGYWOAAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-8-21-13(2)15(11-19-21)17(24)20-9-4-6-14(12-20)16(23)18-7-5-10-22/h11,14,22H,3-10,12H2,1-2H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide?
(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97153259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).