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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Related Compounds

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[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
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1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
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N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91775450
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 60595616
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
[6-(dimethylamino)-3-pyridinyl]-[4-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 74238538
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 118786306
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
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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).