4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide

C16H23N3O2 — CID 66238833

IUPAC4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15-11-21-10-14(15)16(20)18-12-4-6-13(7-5-12)19-8-2-1-3-9-19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20)
InChIKeyXMTCMQYNXCYFBB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide

4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide (PubChem CID 66238833) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
PubChem CID66238833
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15-11-21-10-14(15)16(20)18-12-4-6-13(7-5-12)19-8-2-1-3-9-19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20)
InChIKeyXMTCMQYNXCYFBB-UHFFFAOYSA-N
XLogP1.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66239409
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27516821
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide (CID 66238833) is 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide?
The InChIKey is XMTCMQYNXCYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-11-21-10-14(15)16(20)18-12-4-6-13(7-5-12)19-8-2-1-3-9-19/h4-7,14-15H,1-3,8-11,17H2,(H,18,20).
What are the key properties of 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide?
4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66238833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).