N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide

C25H42N4O2 — CID 96535730

IUPACN-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide
SMILESCCC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C25H42N4O2/c1-2-3-21-14-28(15-22(30)26-24(17-4-5-17)18-6-7-18)12-13-29(21)16-23(31)27-25(19-8-9-19)20-10-11-20/h17-21,24-25H,2-16H2,1H3,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyCKZFEVZJEAEVAS-NRFANRHFSA-N
MW430.64 g/mol
LogP2.38
Rot. Bonds12

About N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide

N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide (PubChem CID 96535730) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide
PubChem CID96535730
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide
SMILESCCC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C25H42N4O2/c1-2-3-21-14-28(15-22(30)26-24(17-4-5-17)18-6-7-18)12-13-29(21)16-23(31)27-25(19-8-9-19)20-10-11-20/h17-21,24-25H,2-16H2,1H3,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyCKZFEVZJEAEVAS-NRFANRHFSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide (CID 96535730) is N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide is CCC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide?
The InChIKey is CKZFEVZJEAEVAS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-2-3-21-14-28(15-22(30)26-24(17-4-5-17)18-6-7-18)12-13-29(21)16-23(31)27-25(19-8-9-19)20-10-11-20/h17-21,24-25H,2-16H2,1H3,(H,26,30)(H,27,31)/t21-/m0/s1.
What are the key properties of N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide?
N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide has a molecular weight of 430.64 g/mol, XLogP of 2.38, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[(3S)-4-[2-(dicyclopropylmethylamino)-2-oxoethyl]-3-propylpiperazin-1-yl]acetamide is sourced from PubChem (CID 96535730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).