4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide

C16H26ClN3O — CID 60807794

IUPAC4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C16H26ClN3O/c1-4-9-19(14-5-7-18-8-6-14)16(21)15-10-13(17)11-20(15)12(2)3/h10-12,14,18H,4-9H2,1-3H3
InChIKeyJBVZNHSYOJPFQH-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide

4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide (PubChem CID 60807794) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
PubChem CID60807794
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C16H26ClN3O/c1-4-9-19(14-5-7-18-8-6-14)16(21)15-10-13(17)11-20(15)12(2)3/h10-12,14,18H,4-9H2,1-3H3
InChIKeyJBVZNHSYOJPFQH-UHFFFAOYSA-N
XLogP3.33
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921
4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60805388
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 119823974
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 60805753
N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 62335560
4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide (CID 60807794) is 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cc(Cl)cn1C(C)C)C1CCNCC1.
What is the InChIKey of 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
The InChIKey is JBVZNHSYOJPFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-9-19(14-5-7-18-8-6-14)16(21)15-10-13(17)11-20(15)12(2)3/h10-12,14,18H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide?
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60807794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).