N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide

C18H25N3O2 — CID 119288580

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-12(20-18(23)16-4-2-3-11-19-16)13-7-9-15(10-8-13)21-17(22)14-5-6-14/h7-10,12,14,16,19H,2-6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQLSMFNWKICWOEF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide (PubChem CID 119288580) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
PubChem CID119288580
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-12(20-18(23)16-4-2-3-11-19-16)13-7-9-15(10-8-13)21-17(22)14-5-6-14/h7-10,12,14,16,19H,2-6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQLSMFNWKICWOEF-UHFFFAOYSA-N
XLogP2.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide (CID 119288580) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide?
The InChIKey is QLSMFNWKICWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(20-18(23)16-4-2-3-11-19-16)13-7-9-15(10-8-13)21-17(22)14-5-6-14/h7-10,12,14,16,19H,2-6,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119288580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).