N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide

C19H21Cl2N3O — CID 24748475

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-5-4-15(18(21)12-16)13-23-19(25)24-9-6-14(7-10-24)11-17-3-1-2-8-22-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,23,25)
InChIKeyRNBTVWOSGQJODH-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.55
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 24748475) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide
PubChem CID24748475
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-5-4-15(18(21)12-16)13-23-19(25)24-9-6-14(7-10-24)11-17-3-1-2-8-22-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,23,25)
InChIKeyRNBTVWOSGQJODH-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide (CID 24748475) is N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccn2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is RNBTVWOSGQJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-5-4-15(18(21)12-16)13-23-19(25)24-9-6-14(7-10-24)11-17-3-1-2-8-22-17/h1-5,8,12,14H,6-7,9-11,13H2,(H,23,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 24748475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).