(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C17H22Cl2N2O — CID 2712549

IUPAC(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C17H22Cl2N2O/c1-16(12-17(16,18)19)15(22)20-14-7-9-21(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyFZHCVMSHJIOYNO-MRXNPFEDSA-N
MW341.28 g/mol
LogP3.35
Rot. Bonds4

About (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 2712549) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID2712549
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C17H22Cl2N2O/c1-16(12-17(16,18)19)15(22)20-14-7-9-21(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyFZHCVMSHJIOYNO-MRXNPFEDSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 2712549) is (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl.
What is the InChIKey of (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is FZHCVMSHJIOYNO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c1-16(12-17(16,18)19)15(22)20-14-7-9-21(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2712549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).