[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid

C17H20N2O4 — CID 137357156

IUPAC[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid
SMILESO=CC1(c2ccc(N3CCCC(NC(=O)O)C3=O)cc2)CCC1
InChIInChI=1S/C17H20N2O4/c20-11-17(8-2-9-17)12-4-6-13(7-5-12)19-10-1-3-14(15(19)21)18-16(22)23/h4-7,11,14,18H,1-3,8-10H2,(H,22,23)
InChIKeyVGESAMBVWAQZJN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds4

About [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid

[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid (PubChem CID 137357156) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid
PubChem CID137357156
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid
SMILESO=CC1(c2ccc(N3CCCC(NC(=O)O)C3=O)cc2)CCC1
InChIInChI=1S/C17H20N2O4/c20-11-17(8-2-9-17)12-4-6-13(7-5-12)19-10-1-3-14(15(19)21)18-16(22)23/h4-7,11,14,18H,1-3,8-10H2,(H,22,23)
InChIKeyVGESAMBVWAQZJN-UHFFFAOYSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(6-iodo-3-pyridinyl)-2-oxopiperidin-3-yl]carbamic acid
CID 129218883
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate
CID 150972693
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
CID 129226585
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
[1-(4-bromo-2,3-difluorophenyl)-2-oxopiperidin-3-yl]carbamic acid
CID 155415178

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid?
The IUPAC name of [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid (CID 137357156) is [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid?
The canonical SMILES for [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid is O=CC1(c2ccc(N3CCCC(NC(=O)O)C3=O)cc2)CCC1.
What is the InChIKey of [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid?
The InChIKey is VGESAMBVWAQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-11-17(8-2-9-17)12-4-6-13(7-5-12)19-10-1-3-14(15(19)21)18-16(22)23/h4-7,11,14,18H,1-3,8-10H2,(H,22,23).
What are the key properties of [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid?
[1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid has a molecular weight of 316.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-formylcyclobutyl)phenyl]-2-oxopiperidin-3-yl]carbamic acid is sourced from PubChem (CID 137357156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).