(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide

C18H26BrN3O2 — CID 9461104

IUPAC(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H26BrN3O2/c1-14(18(23)20-16-6-4-15(19)5-7-16)22-10-8-21(9-11-22)13-17-3-2-12-24-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)/t14-,17+/m1/s1
InChIKeySSHHFAUPTKILGS-PBHICJAKSA-N
MW396.33 g/mol
LogP2.57
Rot. Bonds5

About (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide

(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 9461104) has the molecular formula C18H26BrN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
PubChem CID9461104
Molecular FormulaC18H26BrN3O2
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC Name(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H26BrN3O2/c1-14(18(23)20-16-6-4-15(19)5-7-16)22-10-8-21(9-11-22)13-17-3-2-12-24-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)/t14-,17+/m1/s1
InChIKeySSHHFAUPTKILGS-PBHICJAKSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461108
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 9466788
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9322199
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide (CID 9461104) is (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is SSHHFAUPTKILGS-PBHICJAKSA-N. The full InChI is InChI=1S/C18H26BrN3O2/c1-14(18(23)20-16-6-4-15(19)5-7-16)22-10-8-21(9-11-22)13-17-3-2-12-24-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 396.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9461104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).