4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide

C14H22ClN3O — CID 114696329

IUPAC4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H22ClN3O/c1-3-8-18-10-11(15)9-12(18)13(19)17-14(2)4-6-16-7-5-14/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyHOFFYQLVEQVYSD-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.42
Rot. Bonds4

About 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide

4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 114696329) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
PubChem CID114696329
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H22ClN3O/c1-3-8-18-10-11(15)9-12(18)13(19)17-14(2)4-6-16-7-5-14/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyHOFFYQLVEQVYSD-UHFFFAOYSA-N
XLogP2.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide (CID 114696329) is 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NC1(C)CCNCC1.
What is the InChIKey of 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is HOFFYQLVEQVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-8-18-10-11(15)9-12(18)13(19)17-14(2)4-6-16-7-5-14/h9-10,16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide?
4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 114696329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).