N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C19H24N4O2 — CID 75521633

IUPACN-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C19H24N4O2/c24-19(23-10-4-3-6-17(23)15-11-20-21-12-15)22-16-5-1-2-7-18(16)25-13-14-8-9-14/h1-2,5,7,11-12,14,17H,3-4,6,8-10,13H2,(H,20,21)(H,22,24)
InChIKeySXHKXPQUWZYPBQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 75521633) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID75521633
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CC1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C19H24N4O2/c24-19(23-10-4-3-6-17(23)15-11-20-21-12-15)22-16-5-1-2-7-18(16)25-13-14-8-9-14/h1-2,5,7,11-12,14,17H,3-4,6,8-10,13H2,(H,20,21)(H,22,24)
InChIKeySXHKXPQUWZYPBQ-UHFFFAOYSA-N
XLogP3.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 75521633) is N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(Nc1ccccc1OCC1CC1)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is SXHKXPQUWZYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(23-10-4-3-6-17(23)15-11-20-21-12-15)22-16-5-1-2-7-18(16)25-13-14-8-9-14/h1-2,5,7,11-12,14,17H,3-4,6,8-10,13H2,(H,20,21)(H,22,24).
What are the key properties of N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75521633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).