N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C21H36N4O2 — CID 17431600

IUPACN-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C21H36N4O2/c1-21(2,3)22-19(26)15-23-11-13-24(14-12-23)16-20(27)25(18-9-10-18)17-7-5-4-6-8-17/h7,18H,4-6,8-16H2,1-3H3,(H,22,26)
InChIKeyRKQZXXGIQDGFEH-UHFFFAOYSA-N
MW376.55 g/mol
LogP1.97
Rot. Bonds6

About N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 17431600) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID17431600
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C21H36N4O2/c1-21(2,3)22-19(26)15-23-11-13-24(14-12-23)16-20(27)25(18-9-10-18)17-7-5-4-6-8-17/h7,18H,4-6,8-16H2,1-3H3,(H,22,26)
InChIKeyRKQZXXGIQDGFEH-UHFFFAOYSA-N
XLogP1.97
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 17431600) is N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is RKQZXXGIQDGFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-21(2,3)22-19(26)15-23-11-13-24(14-12-23)16-20(27)25(18-9-10-18)17-7-5-4-6-8-17/h7,18H,4-6,8-16H2,1-3H3,(H,22,26).
What are the key properties of N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17431600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).