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

C22H35N3O2 — CID 46330443

IUPACN-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)c(C)c1C
InChIInChI=1S/C22H35N3O2/c1-15-16(2)21(23-17(15)3)22(27)25-12-10-18(11-13-25)14-20(26)24-19-8-6-4-5-7-9-19/h18-19,23H,4-14H2,1-3H3,(H,24,26)
InChIKeyOXVCDZAIBFGITO-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.02
Rot. Bonds4

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

N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330443) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330443
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]c(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)c(C)c1C
InChIInChI=1S/C22H35N3O2/c1-15-16(2)21(23-17(15)3)22(27)25-12-10-18(11-13-25)14-20(26)24-19-8-6-4-5-7-9-19/h18-19,23H,4-14H2,1-3H3,(H,24,26)
InChIKeyOXVCDZAIBFGITO-UHFFFAOYSA-N
XLogP4.02
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330443) is N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CCCCCC3)CC2)c(C)c1C.
What is the InChIKey of N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is OXVCDZAIBFGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-15-16(2)21(23-17(15)3)22(27)25-12-10-18(11-13-25)14-20(26)24-19-8-6-4-5-7-9-19/h18-19,23H,4-14H2,1-3H3,(H,24,26).
What are the key properties of N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 373.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).