N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide

C23H26Cl2N2O — CID 44528934

IUPACN-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H26Cl2N2O/c24-20-9-8-19(14-21(20)25)22(17-4-2-1-3-5-17)27-12-10-18(11-13-27)23(28)26-15-16-6-7-16/h1-5,8-9,14,16,18,22H,6-7,10-13,15H2,(H,26,28)
InChIKeyMYRCENKSOKDGMD-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.32
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 44528934) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID44528934
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC NameN-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H26Cl2N2O/c24-20-9-8-19(14-21(20)25)22(17-4-2-1-3-5-17)27-12-10-18(11-13-27)23(28)26-15-16-6-7-16/h1-5,8-9,14,16,18,22H,6-7,10-13,15H2,(H,26,28)
InChIKeyMYRCENKSOKDGMD-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide (CID 44528934) is N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide is O=C(NCC1CC1)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is MYRCENKSOKDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c24-20-9-8-19(14-21(20)25)22(17-4-2-1-3-5-17)27-12-10-18(11-13-27)23(28)26-15-16-6-7-16/h1-5,8-9,14,16,18,22H,6-7,10-13,15H2,(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3,4-dichlorophenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 44528934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).