N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide

C24H31ClN4O — CID 90350148

IUPACN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)Cc1ccnc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C24H31ClN4O/c1-27(2)16-19-9-12-26-23(15-19)28-13-10-20(11-14-28)24(30)29(17-18-3-4-18)22-7-5-21(25)6-8-22/h5-9,12,15,18,20H,3-4,10-11,13-14,16-17H2,1-2H3
InChIKeyHWRUPOVVYYFKJV-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.46
Rot. Bonds7

About N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide

N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 90350148) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID90350148
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)Cc1ccnc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C24H31ClN4O/c1-27(2)16-19-9-12-26-23(15-19)28-13-10-20(11-14-28)24(30)29(17-18-3-4-18)22-7-5-21(25)6-8-22/h5-9,12,15,18,20H,3-4,10-11,13-14,16-17H2,1-2H3
InChIKeyHWRUPOVVYYFKJV-UHFFFAOYSA-N
XLogP4.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 90350148) is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is CN(C)Cc1ccnc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is HWRUPOVVYYFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O/c1-27(2)16-19-9-12-26-23(15-19)28-13-10-20(11-14-28)24(30)29(17-18-3-4-18)22-7-5-21(25)6-8-22/h5-9,12,15,18,20H,3-4,10-11,13-14,16-17H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide?
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[4-[(dimethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 90350148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).