N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide

C16H29N5O4 — CID 55432092

IUPACN-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C16H29N5O4/c1-3-5-18-16(24)19-15(23)13-21-9-7-20(8-10-21)12-14(22)17-6-4-11-25-2/h3H,1,4-13H2,2H3,(H,17,22)(H2,18,19,23,24)
InChIKeyJRFCHNGERLIIKT-UHFFFAOYSA-N
MW355.44 g/mol
LogP-1.23
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 55432092) has the molecular formula C16H29N5O4 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID55432092
Molecular FormulaC16H29N5O4
Molecular Weight355.44 g/mol
Exact Mass355.22
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C16H29N5O4/c1-3-5-18-16(24)19-15(23)13-21-9-7-20(8-10-21)12-14(22)17-6-4-11-25-2/h3H,1,4-13H2,2H3,(H,17,22)(H2,18,19,23,24)
InChIKeyJRFCHNGERLIIKT-UHFFFAOYSA-N
XLogP-1.23
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide (CID 55432092) is N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide is C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is JRFCHNGERLIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O4/c1-3-5-18-16(24)19-15(23)13-21-9-7-20(8-10-21)12-14(22)17-6-4-11-25-2/h3H,1,4-13H2,2H3,(H,17,22)(H2,18,19,23,24).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of -1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55432092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).