N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide

C17H22N2O3 — CID 110930987

IUPACN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(O)C2)c1)C1CCC1
InChIInChI=1S/C17H22N2O3/c20-15-8-3-9-19(11-15)17(22)13-6-2-7-14(10-13)18-16(21)12-4-1-5-12/h2,6-7,10,12,15,20H,1,3-5,8-9,11H2,(H,18,21)
InChIKeyIHBONDRWTCKKJX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds3

About N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide (PubChem CID 110930987) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
PubChem CID110930987
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(O)C2)c1)C1CCC1
InChIInChI=1S/C17H22N2O3/c20-15-8-3-9-19(11-15)17(22)13-6-2-7-14(10-13)18-16(21)12-4-1-5-12/h2,6-7,10,12,15,20H,1,3-5,8-9,11H2,(H,18,21)
InChIKeyIHBONDRWTCKKJX-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512642
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide (CID 110930987) is N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(C(=O)N2CCCC(O)C2)c1)C1CCC1.
What is the InChIKey of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide?
The InChIKey is IHBONDRWTCKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15-8-3-9-19(11-15)17(22)13-6-2-7-14(10-13)18-16(21)12-4-1-5-12/h2,6-7,10,12,15,20H,1,3-5,8-9,11H2,(H,18,21).
What are the key properties of N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide?
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 110930987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).