N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide

C19H28ClN3O — CID 139462048

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-16(13-20)18(24)21-15-19(7-8-19)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,21,24)
InChIKeyMIJSUEZZLSDZTG-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.33
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide (PubChem CID 139462048) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide
PubChem CID139462048
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-16(13-20)18(24)21-15-19(7-8-19)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,21,24)
InChIKeyMIJSUEZZLSDZTG-UHFFFAOYSA-N
XLogP2.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-3-chloro-2-methylpropanamide
CID 139462052
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide (CID 139462048) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide is CC(CCl)C(=O)NCC1(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide?
The InChIKey is MIJSUEZZLSDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-16(13-20)18(24)21-15-19(7-8-19)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,21,24).
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide has a molecular weight of 349.91 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide is sourced from PubChem (CID 139462048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).