N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride

C16H30ClN3O2 — CID 119542778

IUPACN-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(20)18-16(8-4-3-5-9-16)15(21)19-10-6-14(7-11-19)12-17-2;/h14,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyUNVPMJXDYIKRBK-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.71
Rot. Bonds4

About N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride

N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride (PubChem CID 119542778) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
PubChem CID119542778
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(20)18-16(8-4-3-5-9-16)15(21)19-10-6-14(7-11-19)12-17-2;/h14,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyUNVPMJXDYIKRBK-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119621740
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
CID 56802503
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
1-[1-(4-aminopiperidine-1-carbonyl)cyclopentyl]-3-ethylurea;hydrochloride
CID 119373610
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride (CID 119542778) is N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride is CNCC1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1.Cl.
What is the InChIKey of N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
The InChIKey is UNVPMJXDYIKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-13(20)18-16(8-4-3-5-9-16)15(21)19-10-6-14(7-11-19)12-17-2;/h14,17H,3-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride?
N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 119542778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).