N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C16H23ClN2O — CID 119699128

IUPACN-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2)CCC1)C1CCNC1
InChIInChI=1S/C16H22N2O.ClH/c19-15(13-7-10-17-11-13)18-12-16(8-4-9-16)14-5-2-1-3-6-14;/h1-3,5-6,13,17H,4,7-12H2,(H,18,19);1H
InChIKeyWWVUPHAHAHTLDL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.26
Rot. Bonds4

About N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119699128) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119699128
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2)CCC1)C1CCNC1
InChIInChI=1S/C16H22N2O.ClH/c19-15(13-7-10-17-11-13)18-12-16(8-4-9-16)14-5-2-1-3-6-14;/h1-3,5-6,13,17H,4,7-12H2,(H,18,19);1H
InChIKeyWWVUPHAHAHTLDL-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119699128) is N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccccc2)CCC1)C1CCNC1.
What is the InChIKey of N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WWVUPHAHAHTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c19-15(13-7-10-17-11-13)18-12-16(8-4-9-16)14-5-2-1-3-6-14;/h1-3,5-6,13,17H,4,7-12H2,(H,18,19);1H.
What are the key properties of N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119699128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).