4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide

C16H25N3O2 — CID 119388518

IUPAC4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCNCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H25N3O2/c1-4-5-13-14(11(3)20)10(2)18-15(13)16(21)19-12-6-8-17-9-7-12/h12,17-18H,4-9H2,1-3H3,(H,19,21)
InChIKeyNWIADUSVNUGHAP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.96
Rot. Bonds5

About 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 119388518) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID119388518
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCNCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H25N3O2/c1-4-5-13-14(11(3)20)10(2)18-15(13)16(21)19-12-6-8-17-9-7-12/h12,17-18H,4-9H2,1-3H3,(H,19,21)
InChIKeyNWIADUSVNUGHAP-UHFFFAOYSA-N
XLogP1.96
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide (CID 119388518) is 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NC2CCNCC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is NWIADUSVNUGHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-13-14(11(3)20)10(2)18-15(13)16(21)19-12-6-8-17-9-7-12/h12,17-18H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119388518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).