N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride

C15H29ClN2O — CID 91660382

IUPACN-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
SMILESCC1(CNC(=O)C2CCCCCC2)CCNCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-15(8-10-16-11-9-15)12-17-14(18)13-6-4-2-3-5-7-13;/h13,16H,2-12H2,1H3,(H,17,18);1H
InChIKeyRRRMJQKVQRGWKW-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.88
Rot. Bonds3

About N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride

N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride (PubChem CID 91660382) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
PubChem CID91660382
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
SMILESCC1(CNC(=O)C2CCCCCC2)CCNCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-15(8-10-16-11-9-15)12-17-14(18)13-6-4-2-3-5-7-13;/h13,16H,2-12H2,1H3,(H,17,18);1H
InChIKeyRRRMJQKVQRGWKW-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride (CID 91660382) is N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride is CC1(CNC(=O)C2CCCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride?
The InChIKey is RRRMJQKVQRGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-15(8-10-16-11-9-15)12-17-14(18)13-6-4-2-3-5-7-13;/h13,16H,2-12H2,1H3,(H,17,18);1H.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride?
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride is sourced from PubChem (CID 91660382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).