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

C18H26ClN3O2 — CID 119288587

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12(20-17(22)15-8-10-19-11-9-15)13-4-6-16(7-5-13)21-18(23)14-2-3-14;/h4-7,12,14-15,19H,2-3,8-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYUCMZFCXCREWMZ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.63
Rot. Bonds5

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

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119288587) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119288587
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12(20-17(22)15-8-10-19-11-9-15)13-4-6-16(7-5-13)21-18(23)14-2-3-14;/h4-7,12,14-15,19H,2-3,8-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYUCMZFCXCREWMZ-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119288587) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YUCMZFCXCREWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-12(20-17(22)15-8-10-19-11-9-15)13-4-6-16(7-5-13)21-18(23)14-2-3-14;/h4-7,12,14-15,19H,2-3,8-11H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.63, 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-4-carboxamide;hydrochloride is sourced from PubChem (CID 119288587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).