N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide

C18H31N3O2 — CID 95311357

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESC[C@H](O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C18H31N3O2/c1-15(22)13-19-9-11-20(12-10-19)14-18(23)21(17-7-8-17)16-5-3-2-4-6-16/h5,15,17,22H,2-4,6-14H2,1H3/t15-/m0/s1
InChIKeyRBVRQTYUTCAIOA-HNNXBMFYSA-N
MW321.47 g/mol
LogP1.43
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide (PubChem CID 95311357) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
PubChem CID95311357
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
SMILESC[C@H](O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C18H31N3O2/c1-15(22)13-19-9-11-20(12-10-19)14-18(23)21(17-7-8-17)16-5-3-2-4-6-16/h5,15,17,22H,2-4,6-14H2,1H3/t15-/m0/s1
InChIKeyRBVRQTYUTCAIOA-HNNXBMFYSA-N
XLogP1.43
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide (CID 95311357) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide is C[C@H](O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide?
The InChIKey is RBVRQTYUTCAIOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(22)13-19-9-11-20(12-10-19)14-18(23)21(17-7-8-17)16-5-3-2-4-6-16/h5,15,17,22H,2-4,6-14H2,1H3/t15-/m0/s1.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide has a molecular weight of 321.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95311357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).