N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

C20H33N3O2 — CID 46330456

IUPACN-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)c(C)c1C
InChIInChI=1S/C20H33N3O2/c1-13(2)6-9-21-18(24)12-17-7-10-23(11-8-17)20(25)19-15(4)14(3)16(5)22-19/h13,17,22H,6-12H2,1-5H3,(H,21,24)
InChIKeyBPVXHBPKXQTJPZ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.34
Rot. Bonds6

About N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330456) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330456
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)c(C)c1C
InChIInChI=1S/C20H33N3O2/c1-13(2)6-9-21-18(24)12-17-7-10-23(11-8-17)20(25)19-15(4)14(3)16(5)22-19/h13,17,22H,6-12H2,1-5H3,(H,21,24)
InChIKeyBPVXHBPKXQTJPZ-UHFFFAOYSA-N
XLogP3.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330456) is N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)c(C)c1C.
What is the InChIKey of N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is BPVXHBPKXQTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)6-9-21-18(24)12-17-7-10-23(11-8-17)20(25)19-15(4)14(3)16(5)22-19/h13,17,22H,6-12H2,1-5H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).