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

C19H29N5O4 — CID 24507369

IUPACN-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N5O4/c1-28-13-5-8-20-17(25)14-23-9-11-24(12-10-23)15-18(26)22-19(27)21-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,20,25)(H2,21,22,26,27)
InChIKeyVXAWCNRTPAIAOL-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.10
Rot. Bonds9

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

N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 24507369) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID24507369
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N5O4/c1-28-13-5-8-20-17(25)14-23-9-11-24(12-10-23)15-18(26)22-19(27)21-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,20,25)(H2,21,22,26,27)
InChIKeyVXAWCNRTPAIAOL-UHFFFAOYSA-N
XLogP0.10
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
3-[[N-benzyl-C-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 50801139
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
3-benzamido-4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 46285353
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 78871572
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 30640890
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide (CID 24507369) is N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is VXAWCNRTPAIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-28-13-5-8-20-17(25)14-23-9-11-24(12-10-23)15-18(26)22-19(27)21-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,20,25)(H2,21,22,26,27).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 0.10, 9 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-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24507369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).