N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

C20H33N3O2 — CID 71932197

IUPACN-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(C(=O)CC2CC3CCC2C3)CC1)C1CCC1
InChIInChI=1S/C20H33N3O2/c24-19(14-18-13-15-4-5-17(18)12-15)23-10-8-22(9-11-23)7-6-21-20(25)16-2-1-3-16/h15-18H,1-14H2,(H,21,25)
InChIKeyTZZWDCYPCNCWDU-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71932197) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID71932197
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1CCN(C(=O)CC2CC3CCC2C3)CC1)C1CCC1
InChIInChI=1S/C20H33N3O2/c24-19(14-18-13-15-4-5-17(18)12-15)23-10-8-22(9-11-23)7-6-21-20(25)16-2-1-3-16/h15-18H,1-14H2,(H,21,25)
InChIKeyTZZWDCYPCNCWDU-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395212
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone
CID 126835541
2-[4-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide
CID 98684839
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 47024305
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
CID 79554930
2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 21174699
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 71932197) is N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is O=C(NCCN1CCN(C(=O)CC2CC3CCC2C3)CC1)C1CCC1.
What is the InChIKey of N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is TZZWDCYPCNCWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c24-19(14-18-13-15-4-5-17(18)12-15)23-10-8-22(9-11-23)7-6-21-20(25)16-2-1-3-16/h15-18H,1-14H2,(H,21,25).
What are the key properties of N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 347.50 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71932197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).