1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea

C17H28N4O2 — CID 97019834

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(18-17(23)19-15(2)13-22)12-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,14-15,22H,8-13H2,1-2H3,(H2,18,19,23)/t14-,15-/m0/s1
InChIKeyYEEPZEQTQANXPP-GJZGRUSLSA-N
MW320.44 g/mol
LogP0.88
Rot. Bonds6

About 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea

1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea (PubChem CID 97019834) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
PubChem CID97019834
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(18-17(23)19-15(2)13-22)12-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,14-15,22H,8-13H2,1-2H3,(H2,18,19,23)/t14-,15-/m0/s1
InChIKeyYEEPZEQTQANXPP-GJZGRUSLSA-N
XLogP0.88
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 111506661
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
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
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
CID 119903454
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
(1R,2R,4R)-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377993
2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 122144017

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea (CID 97019834) is 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea is C[C@@H](CO)NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The InChIKey is YEEPZEQTQANXPP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(18-17(23)19-15(2)13-22)12-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,14-15,22H,8-13H2,1-2H3,(H2,18,19,23)/t14-,15-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea has a molecular weight of 320.44 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 97019834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).