N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

C21H30N4O2 — CID 126424800

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-2-25-16-18(15-23-25)14-22-21(27)24-12-10-19(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,15-16,19-20,26H,2,8-14H2,1H3,(H,22,27)/t20-/m0/s1
InChIKeyFXSXQEFDRCDGKE-FQEVSTJZSA-N
MW370.50 g/mol
LogP2.82
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (PubChem CID 126424800) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
PubChem CID126424800
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-2-25-16-18(15-23-25)14-22-21(27)24-12-10-19(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,15-16,19-20,26H,2,8-14H2,1H3,(H,22,27)/t20-/m0/s1
InChIKeyFXSXQEFDRCDGKE-FQEVSTJZSA-N
XLogP2.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128682443
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126813118
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide (CID 126424800) is N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is CCn1cc(CNC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
The InChIKey is FXSXQEFDRCDGKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-25-16-18(15-23-25)14-22-21(27)24-12-10-19(11-13-24)20(26)9-8-17-6-4-3-5-7-17/h3-7,15-16,19-20,26H,2,8-14H2,1H3,(H,22,27)/t20-/m0/s1.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 126424800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).