(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide

C23H38N4O — CID 98791947

IUPAC(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
SMILESCCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H38N4O/c1-4-27-14-8-11-22(27)18-25(3)19(2)23(28)24-21-12-15-26(16-13-21)17-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,24,28)/t19-,22+/m1/s1
InChIKeyCAZRVGSBVPONLY-KNQAVFIVSA-N
MW386.58 g/mol
LogP2.57
Rot. Bonds8

About (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide

(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide (PubChem CID 98791947) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
PubChem CID98791947
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
SMILESCCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H38N4O/c1-4-27-14-8-11-22(27)18-25(3)19(2)23(28)24-21-12-15-26(16-13-21)17-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,24,28)/t19-,22+/m1/s1
InChIKeyCAZRVGSBVPONLY-KNQAVFIVSA-N
XLogP2.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
CID 56818396
1-(1-benzylpiperidin-4-yl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 110986584
N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 111431834
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide (CID 98791947) is (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide is CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide?
The InChIKey is CAZRVGSBVPONLY-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H38N4O/c1-4-27-14-8-11-22(27)18-25(3)19(2)23(28)24-21-12-15-26(16-13-21)17-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,24,28)/t19-,22+/m1/s1.
What are the key properties of (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide?
(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide has a molecular weight of 386.58 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 98791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).