N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide

C21H30N4O2 — CID 126446556

IUPACN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
SMILESCCn1nc(C)c([C@@H](C)NC(=O)N2CCC(c3cccc(O)c3)CC2)c1C
InChIInChI=1S/C21H30N4O2/c1-5-25-16(4)20(15(3)23-25)14(2)22-21(27)24-11-9-17(10-12-24)18-7-6-8-19(26)13-18/h6-8,13-14,17,26H,5,9-12H2,1-4H3,(H,22,27)/t14-/m1/s1
InChIKeyLDXGXZSAAXKIHH-CQSZACIVSA-N
MW370.50 g/mol
LogP3.88
Rot. Bonds4

About N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide

N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide (PubChem CID 126446556) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
PubChem CID126446556
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
SMILESCCn1nc(C)c([C@@H](C)NC(=O)N2CCC(c3cccc(O)c3)CC2)c1C
InChIInChI=1S/C21H30N4O2/c1-5-25-16(4)20(15(3)23-25)14(2)22-21(27)24-11-9-17(10-12-24)18-7-6-8-19(26)13-18/h6-8,13-14,17,26H,5,9-12H2,1-4H3,(H,22,27)/t14-/m1/s1
InChIKeyLDXGXZSAAXKIHH-CQSZACIVSA-N
XLogP3.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide (CID 126446556) is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide is CCn1nc(C)c([C@@H](C)NC(=O)N2CCC(c3cccc(O)c3)CC2)c1C.
What is the InChIKey of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide?
The InChIKey is LDXGXZSAAXKIHH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-25-16(4)20(15(3)23-25)14(2)22-21(27)24-11-9-17(10-12-24)18-7-6-8-19(26)13-18/h6-8,13-14,17,26H,5,9-12H2,1-4H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide?
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 126446556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).