propan-2-yl 4-(piperidine-3-carbonylamino)benzoate

C16H22N2O3 — CID 43702839

IUPACpropan-2-yl 4-(piperidine-3-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-16(20)12-5-7-14(8-6-12)18-15(19)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyLYVJHUJZRNOSKG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds4

About propan-2-yl 4-(piperidine-3-carbonylamino)benzoate

propan-2-yl 4-(piperidine-3-carbonylamino)benzoate (PubChem CID 43702839) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is propan-2-yl 4-(piperidine-3-carbonylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(piperidine-3-carbonylamino)benzoate
PubChem CID43702839
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namepropan-2-yl 4-(piperidine-3-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11(2)21-16(20)12-5-7-14(8-6-12)18-15(19)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyLYVJHUJZRNOSKG-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119321700
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
(E)-3-[4-[[(3R)-piperidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 115342369
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 119282784

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(piperidine-3-carbonylamino)benzoate?
The IUPAC name of propan-2-yl 4-(piperidine-3-carbonylamino)benzoate (CID 43702839) is propan-2-yl 4-(piperidine-3-carbonylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(piperidine-3-carbonylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(piperidine-3-carbonylamino)benzoate is CC(C)OC(=O)c1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of propan-2-yl 4-(piperidine-3-carbonylamino)benzoate?
The InChIKey is LYVJHUJZRNOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)21-16(20)12-5-7-14(8-6-12)18-15(19)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of propan-2-yl 4-(piperidine-3-carbonylamino)benzoate?
propan-2-yl 4-(piperidine-3-carbonylamino)benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(piperidine-3-carbonylamino)benzoate is sourced from PubChem (CID 43702839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).