N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C22H21N5O2 — CID 99697397

IUPACN-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)cc1
InChIInChI=1S/C22H21N5O2/c23-15-16-1-5-19(6-2-16)29-20-7-3-18(4-8-20)25-22(28)27-13-10-17(11-14-27)21-9-12-24-26-21/h1-9,12,17H,10-11,13-14H2,(H,24,26)(H,25,28)
InChIKeyQBNHKCUQJQGGCJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.49
Rot. Bonds4

About N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 99697397) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID99697397
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)cc1
InChIInChI=1S/C22H21N5O2/c23-15-16-1-5-19(6-2-16)29-20-7-3-18(4-8-20)25-22(28)27-13-10-17(11-14-27)21-9-12-24-26-21/h1-9,12,17H,10-11,13-14H2,(H,24,26)(H,25,28)
InChIKeyQBNHKCUQJQGGCJ-UHFFFAOYSA-N
XLogP4.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119042237
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126796006
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 99697397) is N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is QBNHKCUQJQGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-15-16-1-5-19(6-2-16)29-20-7-3-18(4-8-20)25-22(28)27-13-10-17(11-14-27)21-9-12-24-26-21/h1-9,12,17H,10-11,13-14H2,(H,24,26)(H,25,28).
What are the key properties of N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99697397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).