1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide

C19H23ClN4O — CID 45275784

IUPAC1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-23(2)15-5-3-13(4-6-15)16-11-22-12-17(20)18(16)24-9-7-14(8-10-24)19(21)25/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,25)
InChIKeySMOQZLWEBBEMFR-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide

1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275784) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275784
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-23(2)15-5-3-13(4-6-15)16-11-22-12-17(20)18(16)24-9-7-14(8-10-24)19(21)25/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,25)
InChIKeySMOQZLWEBBEMFR-UHFFFAOYSA-N
XLogP3.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide (CID 45275784) is 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide is CN(C)c1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SMOQZLWEBBEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-23(2)15-5-3-13(4-6-15)16-11-22-12-17(20)18(16)24-9-7-14(8-10-24)19(21)25/h3-6,11-12,14H,7-10H2,1-2H3,(H2,21,25).
What are the key properties of 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).