N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

C18H34ClN3O2 — CID 119543512

IUPACN-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)CC(C)NC(=O)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-14(20-18(23)16-6-4-3-5-7-16)12-17(22)21-10-8-15(9-11-21)13-19-2;/h14-16,19H,3-13H2,1-2H3,(H,20,23);1H
InChIKeyRVILFNBSNUJXHE-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.34
Rot. Bonds6

About N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119543512) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID119543512
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)CC(C)NC(=O)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-14(20-18(23)16-6-4-3-5-7-16)12-17(22)21-10-8-15(9-11-21)13-19-2;/h14-16,19H,3-13H2,1-2H3,(H,20,23);1H
InChIKeyRVILFNBSNUJXHE-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119395625
N-[4-(4-aminopiperidin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119373643
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119520379
N-[4-(1,4-diazepan-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119415054
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119577168
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
(3S,4S)-1-[3-(cyclohexanecarbonylamino)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112440
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 100703789

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 119543512) is N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is CNCC1CCN(C(=O)CC(C)NC(=O)C2CCCCC2)CC1.Cl.
What is the InChIKey of N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is RVILFNBSNUJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-14(20-18(23)16-6-4-3-5-7-16)12-17(22)21-10-8-15(9-11-21)13-19-2;/h14-16,19H,3-13H2,1-2H3,(H,20,23);1H.
What are the key properties of N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119543512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).