N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride

C16H22ClN3O2 — CID 166176525

IUPACN-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)C1(NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12-11-17-9-10-19(12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13;/h2-6,12,17H,7-11H2,1H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyKZZXQPVGFAEIBJ-YDALLXLXSA-N
MW323.82 g/mol
LogP1.19
Rot. Bonds3

About N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride

N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride (PubChem CID 166176525) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
PubChem CID166176525
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)C1(NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-12-11-17-9-10-19(12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13;/h2-6,12,17H,7-11H2,1H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyKZZXQPVGFAEIBJ-YDALLXLXSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 166176518
(2-methylpiperazin-1-yl)-(4-phenyloxan-4-yl)methanone
CID 82250270
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
CID 62673288
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
CID 166176501
2-benzylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470581
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The IUPAC name of N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride (CID 166176525) is N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride is C[C@H]1CNCCN1C(=O)C1(NC(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The InChIKey is KZZXQPVGFAEIBJ-YDALLXLXSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-12-11-17-9-10-19(12)15(21)16(7-8-16)18-14(20)13-5-3-2-4-6-13;/h2-6,12,17H,7-11H2,1H3,(H,18,20);1H/t12-;/m0./s1.
What are the key properties of N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide;hydrochloride is sourced from PubChem (CID 166176525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).