N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide

C16H22N4O2 — CID 52991115

IUPACN-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H22N4O2/c21-15-12(8-4-5-9-17-15)18-16(22)14-10-13(19-20-14)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2,(H,17,21)(H,18,22)
InChIKeyRTQBIYNZSIHNQU-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.38
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide

N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 52991115) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID52991115
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H22N4O2/c21-15-12(8-4-5-9-17-15)18-16(22)14-10-13(19-20-14)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2,(H,17,21)(H,18,22)
InChIKeyRTQBIYNZSIHNQU-UHFFFAOYSA-N
XLogP0.38
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565291
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
N-(2-oxopiperidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119307988
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 133108556
N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 94660208
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-phenylpyrazolidine-3-carboxamide
CID 52986551

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide (CID 52991115) is N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide is O=C(NC1CCCCNC1=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is RTQBIYNZSIHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15-12(8-4-5-9-17-15)18-16(22)14-10-13(19-20-14)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2,(H,17,21)(H,18,22).
What are the key properties of N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide?
N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 52991115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).