(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide

C15H22N4O2 — CID 81118919

IUPAC(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O2/c1-10(18-14(20)12-3-2-8-17-9-12)11-4-6-13(7-5-11)19-15(16)21/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,18,20)(H3,16,19,21)/t10?,12-/m0/s1
InChIKeyRNACSNHZVBOXFB-KFJBMODSSA-N
MW290.37 g/mol
LogP1.35
Rot. Bonds4

About (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide

(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 81118919) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID81118919
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCCNC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H22N4O2/c1-10(18-14(20)12-3-2-8-17-9-12)11-4-6-13(7-5-11)19-15(16)21/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,18,20)(H3,16,19,21)/t10?,12-/m0/s1
InChIKeyRNACSNHZVBOXFB-KFJBMODSSA-N
XLogP1.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide (CID 81118919) is (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide is CC(NC(=O)[C@H]1CCCNC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is RNACSNHZVBOXFB-KFJBMODSSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(18-14(20)12-3-2-8-17-9-12)11-4-6-13(7-5-11)19-15(16)21/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,18,20)(H3,16,19,21)/t10?,12-/m0/s1.
What are the key properties of (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide?
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81118919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).