(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide

C15H21N3O3 — CID 81118686

IUPAC(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21N3O3/c16-14(19)7-9-21-13-6-2-1-5-12(13)18-15(20)11-4-3-8-17-10-11/h1-2,5-6,11,17H,3-4,7-10H2,(H2,16,19)(H,18,20)/t11-/m1/s1
InChIKeyCRJKMQSBUXMIBN-LLVKDONJSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds6

About (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide

(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide (PubChem CID 81118686) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide
PubChem CID81118686
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21N3O3/c16-14(19)7-9-21-13-6-2-1-5-12(13)18-15(20)11-4-3-8-17-10-11/h1-2,5-6,11,17H,3-4,7-10H2,(H2,16,19)(H,18,20)/t11-/m1/s1
InChIKeyCRJKMQSBUXMIBN-LLVKDONJSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide (CID 81118686) is (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide is NC(=O)CCOc1ccccc1NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is CRJKMQSBUXMIBN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(19)7-9-21-13-6-2-1-5-12(13)18-15(20)11-4-3-8-17-10-11/h1-2,5-6,11,17H,3-4,7-10H2,(H2,16,19)(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide?
(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).