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

C16H24ClN3O2 — CID 119542570

IUPACN-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)18-15-5-3-14(4-6-15)16(21)19-9-7-13(8-10-19)11-17-2;/h3-6,13,17H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyUHJHHRNNHFQHTI-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.14
Rot. Bonds4

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

N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (PubChem CID 119542570) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
PubChem CID119542570
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)18-15-5-3-14(4-6-15)16(21)19-9-7-13(8-10-19)11-17-2;/h3-6,13,17H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyUHJHHRNNHFQHTI-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride (CID 119542570) is N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride is CNCC1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.Cl.
What is the InChIKey of N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
The InChIKey is UHJHHRNNHFQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(20)18-15-5-3-14(4-6-15)16(21)19-9-7-13(8-10-19)11-17-2;/h3-6,13,17H,7-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride?
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119542570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).