N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide

C18H27N5O3 — CID 55382083

IUPACN-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCNC(=O)CN1CCN(C(C(=O)NC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N5O3/c1-2-8-20-15(24)13-22-9-11-23(12-10-22)16(17(25)21-18(19)26)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3,(H,20,24)(H3,19,21,25,26)
InChIKeyDCZAPSHRWZMZNP-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.07
Rot. Bonds7

About N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide

N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 55382083) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID55382083
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCNC(=O)CN1CCN(C(C(=O)NC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N5O3/c1-2-8-20-15(24)13-22-9-11-23(12-10-22)16(17(25)21-18(19)26)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3,(H,20,24)(H3,19,21,25,26)
InChIKeyDCZAPSHRWZMZNP-UHFFFAOYSA-N
XLogP0.07
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774242
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 46614784
(2R)-N-carbamoyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 25346781
N-carbamoyl-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643095
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
2-[4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8641041
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16595090

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide (CID 55382083) is N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide is CCCNC(=O)CN1CCN(C(C(=O)NC(N)=O)c2ccccc2)CC1.
What is the InChIKey of N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is DCZAPSHRWZMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-2-8-20-15(24)13-22-9-11-23(12-10-22)16(17(25)21-18(19)26)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3,(H,20,24)(H3,19,21,25,26).
What are the key properties of N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 361.45 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55382083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).