N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide

C17H22Cl2N2O — CID 136579148

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl
InChIInChI=1S/C17H22Cl2N2O/c18-17(19)10-15(17)16(22)20-11-13-6-8-21(9-7-13)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,20,22)
InChIKeyPSHXJVPUEHVHNA-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.21
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 136579148) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID136579148
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl
InChIInChI=1S/C17H22Cl2N2O/c18-17(19)10-15(17)16(22)20-11-13-6-8-21(9-7-13)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,20,22)
InChIKeyPSHXJVPUEHVHNA-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.21
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

N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
CID 73335428
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131895443
N-[(1-benzylpiperidin-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119864183
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
CID 47874249
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide (CID 136579148) is N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide is O=C(NCC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is PSHXJVPUEHVHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c18-17(19)10-15(17)16(22)20-11-13-6-8-21(9-7-13)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,20,22).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 136579148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).