2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

C21H35N5O3 — CID 55410900

IUPAC2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(NC(=O)NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C1CC2CCC1C2
InChIInChI=1S/C21H35N5O3/c1-14(18-11-15-2-3-16(18)10-15)22-21(29)24-20(28)13-26-8-6-25(7-9-26)12-19(27)23-17-4-5-17/h14-18H,2-13H2,1H3,(H,23,27)(H2,22,24,28,29)
InChIKeyRPMJQXNKJHCNAO-UHFFFAOYSA-N
MW405.54 g/mol
LogP0.53
Rot. Bonds7

About 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 55410900) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID55410900
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(NC(=O)NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C1CC2CCC1C2
InChIInChI=1S/C21H35N5O3/c1-14(18-11-15-2-3-16(18)10-15)22-21(29)24-20(28)13-26-8-6-25(7-9-26)12-19(27)23-17-4-5-17/h14-18H,2-13H2,1H3,(H,23,27)(H2,22,24,28,29)
InChIKeyRPMJQXNKJHCNAO-UHFFFAOYSA-N
XLogP0.53
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 98537147
N-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 98537150
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 98124247
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113999
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 98161251
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 98755354
1-(2-adamantyl)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]urea
CID 112831635
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750861
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]acetamide
CID 98495357

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 55410900) is 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is CC(NC(=O)NC(=O)CN1CCN(CC(=O)NC2CC2)CC1)C1CC2CCC1C2.
What is the InChIKey of 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is RPMJQXNKJHCNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-14(18-11-15-2-3-16(18)10-15)22-21(29)24-20(28)13-26-8-6-25(7-9-26)12-19(27)23-17-4-5-17/h14-18H,2-13H2,1H3,(H,23,27)(H2,22,24,28,29).
What are the key properties of 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 405.54 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 55410900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).