N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C22H29N5O2 — CID 120926534

IUPACN-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)N1CCCCCC1
InChIInChI=1S/C22H29N5O2/c28-20(26-15-3-1-2-4-16-26)18-6-8-19(9-7-18)25-21(29)22(10-13-23-14-11-22)27-17-5-12-24-27/h5-9,12,17,23H,1-4,10-11,13-16H2,(H,25,29)
InChIKeyCSJITTBDUFBRTJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.62
Rot. Bonds4

About N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120926534) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120926534
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)N1CCCCCC1
InChIInChI=1S/C22H29N5O2/c28-20(26-15-3-1-2-4-16-26)18-6-8-19(9-7-18)25-21(29)22(10-13-23-14-11-22)27-17-5-12-24-27/h5-9,12,17,23H,1-4,10-11,13-16H2,(H,25,29)
InChIKeyCSJITTBDUFBRTJ-UHFFFAOYSA-N
XLogP2.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 120929070
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120926534) is N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)N1CCCCCC1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is CSJITTBDUFBRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-20(26-15-3-1-2-4-16-26)18-6-8-19(9-7-18)25-21(29)22(10-13-23-14-11-22)27-17-5-12-24-27/h5-9,12,17,23H,1-4,10-11,13-16H2,(H,25,29).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120926534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).