1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide

C16H27N3O — CID 106628957

IUPAC1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCCNC2)C(C)C)n1C
InChIInChI=1S/C16H27N3O/c1-12(2)19(11-14-6-5-9-17-10-14)16(20)15-8-7-13(3)18(15)4/h7-8,12,14,17H,5-6,9-11H2,1-4H3
InChIKeyNQKXFTGTRLHDNS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.18
Rot. Bonds4

About 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide

1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide (PubChem CID 106628957) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
PubChem CID106628957
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCCNC2)C(C)C)n1C
InChIInChI=1S/C16H27N3O/c1-12(2)19(11-14-6-5-9-17-10-14)16(20)15-8-7-13(3)18(15)4/h7-8,12,14,17H,5-6,9-11H2,1-4H3
InChIKeyNQKXFTGTRLHDNS-UHFFFAOYSA-N
XLogP2.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 106628888
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrrolidin-1-ylpropanamide
CID 106628895
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide (CID 106628957) is 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide is Cc1ccc(C(=O)N(CC2CCCNC2)C(C)C)n1C.
What is the InChIKey of 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NQKXFTGTRLHDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)19(11-14-6-5-9-17-10-14)16(20)15-8-7-13(3)18(15)4/h7-8,12,14,17H,5-6,9-11H2,1-4H3.
What are the key properties of 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide?
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106628957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).