(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide

C22H34N4O — CID 97064355

IUPAC(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)N3C)CC1
InChIInChI=1S/C22H34N4O/c1-17(22(27)23-16-18-6-4-3-5-7-18)25-10-12-26(13-11-25)21-14-19-8-9-20(15-21)24(19)2/h3-7,17,19-21H,8-16H2,1-2H3,(H,23,27)/t17-,19-,20+,21?/m1/s1
InChIKeyYGJDTYBBIPCVMV-OKCRPCIYSA-N
MW370.54 g/mol
LogP1.93
Rot. Bonds5

About (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide

(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide (PubChem CID 97064355) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
PubChem CID97064355
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)N3C)CC1
InChIInChI=1S/C22H34N4O/c1-17(22(27)23-16-18-6-4-3-5-7-18)25-10-12-26(13-11-25)21-14-19-8-9-20(15-21)24(19)2/h3-7,17,19-21H,8-16H2,1-2H3,(H,23,27)/t17-,19-,20+,21?/m1/s1
InChIKeyYGJDTYBBIPCVMV-OKCRPCIYSA-N
XLogP1.93
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(2S)-N-(3-fluorophenyl)-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97067672
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide (CID 97064355) is (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide is C[C@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)N3C)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide?
The InChIKey is YGJDTYBBIPCVMV-OKCRPCIYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-17(22(27)23-16-18-6-4-3-5-7-18)25-10-12-26(13-11-25)21-14-19-8-9-20(15-21)24(19)2/h3-7,17,19-21H,8-16H2,1-2H3,(H,23,27)/t17-,19-,20+,21?/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide?
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 97064355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).