(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide

C17H28N4O2 — CID 128682443

IUPAC(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-2-21-11-13(10-19-21)9-18-17(23)20-8-7-16(22)15(12-20)14-5-3-4-6-14/h10-11,14-16,22H,2-9,12H2,1H3,(H,18,23)/t15-,16+/m0/s1
InChIKeyOZRDAZIYCUKEGM-JKSUJKDBSA-N
MW320.44 g/mol
LogP1.99
Rot. Bonds4

About (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide

(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 128682443) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID128682443
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-2-21-11-13(10-19-21)9-18-17(23)20-8-7-16(22)15(12-20)14-5-3-4-6-14/h10-11,14-16,22H,2-9,12H2,1H3,(H,18,23)/t15-,16+/m0/s1
InChIKeyOZRDAZIYCUKEGM-JKSUJKDBSA-N
XLogP1.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
CID 164637886
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
(3R,4R)-3-cyclopentyl-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128683899
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
N-[(1-ethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128682445
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 128682443) is (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide is CCn1cc(CNC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cn1.
What is the InChIKey of (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is OZRDAZIYCUKEGM-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-21-11-13(10-19-21)9-18-17(23)20-8-7-16(22)15(12-20)14-5-3-4-6-14/h10-11,14-16,22H,2-9,12H2,1H3,(H,18,23)/t15-,16+/m0/s1.
What are the key properties of (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide?
(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 128682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).