4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide

C14H21ClN4O — CID 43789870

IUPAC4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C14H21ClN4O/c1-18(2)13-11(15)4-3-5-12(13)17-10-6-8-19(9-7-10)14(16)20/h3-5,10,17H,6-9H2,1-2H3,(H2,16,20)
InChIKeyDKBKJRZDUDHVCX-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.36
Rot. Bonds3

About 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide

4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide (PubChem CID 43789870) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
PubChem CID43789870
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C14H21ClN4O/c1-18(2)13-11(15)4-3-5-12(13)17-10-6-8-19(9-7-10)14(16)20/h3-5,10,17H,6-9H2,1-2H3,(H2,16,20)
InChIKeyDKBKJRZDUDHVCX-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide?
The IUPAC name of 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide (CID 43789870) is 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide is CN(C)c1c(Cl)cccc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide?
The InChIKey is DKBKJRZDUDHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-18(2)13-11(15)4-3-5-12(13)17-10-6-8-19(9-7-10)14(16)20/h3-5,10,17H,6-9H2,1-2H3,(H2,16,20).
What are the key properties of 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide?
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide is sourced from PubChem (CID 43789870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).