2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide

C15H28N4O2 — CID 60937146

IUPAC2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-2-5-17-14(20)12-18-6-8-19(9-7-18)15(21)11-16-10-13-3-4-13/h13,16H,2-12H2,1H3,(H,17,20)
InChIKeyXTWAVGFAFJJNKR-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.34
Rot. Bonds8

About 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 60937146) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
PubChem CID60937146
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-2-5-17-14(20)12-18-6-8-19(9-7-18)15(21)11-16-10-13-3-4-13/h13,16H,2-12H2,1H3,(H,17,20)
InChIKeyXTWAVGFAFJJNKR-UHFFFAOYSA-N
XLogP-0.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834260
2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836717
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide (CID 60937146) is 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is XTWAVGFAFJJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-5-17-14(20)12-18-6-8-19(9-7-18)15(21)11-16-10-13-3-4-13/h13,16H,2-12H2,1H3,(H,17,20).
What are the key properties of 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 296.41 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 60937146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).