[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid

C17H26N4O3 — CID 87283445

IUPAC[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid
SMILESCNC(CN1CCN(c2ccccc2)CC1)CN(CC=O)C(=O)O
InChIInChI=1S/C17H26N4O3/c1-18-15(14-21(11-12-22)17(23)24)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13-14H2,1H3,(H,23,24)
InChIKeyGUFBPLZZJUOYEL-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.58
Rot. Bonds8

About [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid

[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid (PubChem CID 87283445) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid
PubChem CID87283445
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid
SMILESCNC(CN1CCN(c2ccccc2)CC1)CN(CC=O)C(=O)O
InChIInChI=1S/C17H26N4O3/c1-18-15(14-21(11-12-22)17(23)24)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13-14H2,1H3,(H,23,24)
InChIKeyGUFBPLZZJUOYEL-UHFFFAOYSA-N
XLogP0.58
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
CID 119903454
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
methyl (2S)-3-[[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylamino]-2-methylpropanoate
CID 95151612
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
CID 95776434
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
[2-(1-isoquinolin-3-ylpiperidin-4-yl)-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283756
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid (CID 87283445) is [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid is CNC(CN1CCN(c2ccccc2)CC1)CN(CC=O)C(=O)O.
What is the InChIKey of [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid?
The InChIKey is GUFBPLZZJUOYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-18-15(14-21(11-12-22)17(23)24)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13-14H2,1H3,(H,23,24).
What are the key properties of [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid?
[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid has a molecular weight of 334.42 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).