(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide

C18H29N3O2 — CID 95610823

IUPAC(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(22)13-20-9-11-21(12-10-20)16(2)18(23)19(3)14-17-7-5-4-6-8-17/h4-8,15-16,22H,9-14H2,1-3H3/t15-,16+/m0/s1
InChIKeyVLVHOROQBPKAHV-JKSUJKDBSA-N
MW319.45 g/mol
LogP1.03
Rot. Bonds6

About (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide

(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 95610823) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID95610823
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-15(22)13-20-9-11-21(12-10-20)16(2)18(23)19(3)14-17-7-5-4-6-8-17/h4-8,15-16,22H,9-14H2,1-3H3/t15-,16+/m0/s1
InChIKeyVLVHOROQBPKAHV-JKSUJKDBSA-N
XLogP1.03
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-benzyl-N-methylpropanamide;hydrochloride
CID 120760688
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzyl-N-methylpropanamide
CID 9356997
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
CID 95139916

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide (CID 95610823) is (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide is C[C@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is VLVHOROQBPKAHV-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(22)13-20-9-11-21(12-10-20)16(2)18(23)19(3)14-17-7-5-4-6-8-17/h4-8,15-16,22H,9-14H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide?
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 1.03, 6 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-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 95610823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).