N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide

C20H29N3O2 — CID 99773788

IUPACN-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)c(C)n1C1CC1
InChIInChI=1S/C20H29N3O2/c1-13-12-18(14(2)23(13)17-6-7-17)20(25)22-10-8-16(9-11-22)21-19(24)15-4-3-5-15/h12,15-17H,3-11H2,1-2H3,(H,21,24)
InChIKeyDQPFJUDEKSNCTR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 99773788) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID99773788
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)c(C)n1C1CC1
InChIInChI=1S/C20H29N3O2/c1-13-12-18(14(2)23(13)17-6-7-17)20(25)22-10-8-16(9-11-22)21-19(24)15-4-3-5-15/h12,15-17H,3-11H2,1-2H3,(H,21,24)
InChIKeyDQPFJUDEKSNCTR-UHFFFAOYSA-N
XLogP2.96
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide (CID 99773788) is N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide is Cc1cc(C(=O)N2CCC(NC(=O)C3CCC3)CC2)c(C)n1C1CC1.
What is the InChIKey of N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is DQPFJUDEKSNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-12-18(14(2)23(13)17-6-7-17)20(25)22-10-8-16(9-11-22)21-19(24)15-4-3-5-15/h12,15-17H,3-11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 99773788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).