N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide

C16H27N5O3 — CID 43037834

IUPACN-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-3-6-17-16(24)19-14(22)11-20-7-9-21(10-8-20)12(2)15(23)18-13-4-5-13/h3,12-13H,1,4-11H2,2H3,(H,18,23)(H2,17,19,22,24)
InChIKeyLGEQNNGAXFAUGJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.72
Rot. Bonds7

About N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide (PubChem CID 43037834) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
PubChem CID43037834
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC NameN-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-3-6-17-16(24)19-14(22)11-20-7-9-21(10-8-20)12(2)15(23)18-13-4-5-13/h3,12-13H,1,4-11H2,2H3,(H,18,23)(H2,17,19,22,24)
InChIKeyLGEQNNGAXFAUGJ-UHFFFAOYSA-N
XLogP-0.72
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 42934015
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 87022015
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
CID 37193198
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 31689500
3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522344
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide (CID 43037834) is N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide is C=CCNC(=O)NC(=O)CN1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide?
The InChIKey is LGEQNNGAXFAUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-3-6-17-16(24)19-14(22)11-20-7-9-21(10-8-20)12(2)15(23)18-13-4-5-13/h3,12-13H,1,4-11H2,2H3,(H,18,23)(H2,17,19,22,24).
What are the key properties of N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide has a molecular weight of 337.42 g/mol, XLogP of -0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 43037834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).