N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

C16H26N6O2 — CID 75369807

IUPACN-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCCn1ccnc1CN1CCN(CC(=O)NC(=O)NC2CC2)CC1
InChIInChI=1S/C16H26N6O2/c1-2-22-6-5-17-14(22)11-20-7-9-21(10-8-20)12-15(23)19-16(24)18-13-3-4-13/h5-6,13H,2-4,7-12H2,1H3,(H2,18,19,23,24)
InChIKeyDLVAHDQIPMYZEM-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.01
Rot. Bonds6

About N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 75369807) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID75369807
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCCn1ccnc1CN1CCN(CC(=O)NC(=O)NC2CC2)CC1
InChIInChI=1S/C16H26N6O2/c1-2-22-6-5-17-14(22)11-20-7-9-21(10-8-20)12-15(23)19-16(24)18-13-3-4-13/h5-6,13H,2-4,7-12H2,1H3,(H2,18,19,23,24)
InChIKeyDLVAHDQIPMYZEM-UHFFFAOYSA-N
XLogP0.01
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 75369807) is N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide is CCn1ccnc1CN1CCN(CC(=O)NC(=O)NC2CC2)CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is DLVAHDQIPMYZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-2-22-6-5-17-14(22)11-20-7-9-21(10-8-20)12-15(23)19-16(24)18-13-3-4-13/h5-6,13H,2-4,7-12H2,1H3,(H2,18,19,23,24).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 75369807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).