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

C18H27N3O2 — CID 46330455

IUPACN-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C
InChIInChI=1S/C18H27N3O2/c1-11-12(2)17(19-13(11)3)18(23)21-8-6-14(7-9-21)10-16(22)20-15-4-5-15/h14-15,19H,4-10H2,1-3H3,(H,20,22)
InChIKeyWNOWWTPXXTYQKA-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.46
Rot. Bonds4

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

N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330455) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330455
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C
InChIInChI=1S/C18H27N3O2/c1-11-12(2)17(19-13(11)3)18(23)21-8-6-14(7-9-21)10-16(22)20-15-4-5-15/h14-15,19H,4-10H2,1-3H3,(H,20,22)
InChIKeyWNOWWTPXXTYQKA-UHFFFAOYSA-N
XLogP2.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330455) is N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C.
What is the InChIKey of N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WNOWWTPXXTYQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11-12(2)17(19-13(11)3)18(23)21-8-6-14(7-9-21)10-16(22)20-15-4-5-15/h14-15,19H,4-10H2,1-3H3,(H,20,22).
What are the key properties of N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).