tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate

C21H33N3O3 — CID 10571528

IUPACtert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)22-12-11-19(25)24-16-14-23(15-17-24)13-7-10-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,22,26)
InChIKeyKAZPYGCUIYEGLN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.68
Rot. Bonds7

About tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate

tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate (PubChem CID 10571528) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate
PubChem CID10571528
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Nametert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)22-12-11-19(25)24-16-14-23(15-17-24)13-7-10-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,22,26)
InChIKeyKAZPYGCUIYEGLN-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-Oxo-4-[4-(3-phenyl-propyl)-piperazin-1-yl]-butyl}-carbamic acid tert-butyl ester
CID 10691769
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(3-phenylpropyl)acetamide
CID 23723417
{2-Oxo-2-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethyl}-carbamic acid tert-butyl ester
CID 10784820
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
3-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-propan-1-one
CID 401843
4-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-butan-1-one
CID 10779812
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate (CID 10571528) is tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate?
The InChIKey is KAZPYGCUIYEGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)22-12-11-19(25)24-16-14-23(15-17-24)13-7-10-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,22,26).
What are the key properties of tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate?
tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate has a molecular weight of 375.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[4-(3-phenylpropyl)piperazin-1-yl]propyl]carbamate is sourced from PubChem (CID 10571528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).