N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide

C23H36N4O2 — CID 72852322

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCN(C)C(=O)CN1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(2)23(29)18-26-13-10-19(11-14-26)8-9-22(28)24-21-12-15-27(17-21)16-20-6-4-3-5-7-20/h3-7,19,21H,8-18H2,1-2H3,(H,24,28)
InChIKeyFYJFNSUGGABDNW-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.96
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide

N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 72852322) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID72852322
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCN(C)C(=O)CN1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(2)23(29)18-26-13-10-19(11-14-26)8-9-22(28)24-21-12-15-27(17-21)16-20-6-4-3-5-7-20/h3-7,19,21H,8-18H2,1-2H3,(H,24,28)
InChIKeyFYJFNSUGGABDNW-UHFFFAOYSA-N
XLogP1.96
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 97270800
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
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N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42377516
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 45216855
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 26320267
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide (CID 72852322) is N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide is CN(C)C(=O)CN1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is FYJFNSUGGABDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-25(2)23(29)18-26-13-10-19(11-14-26)8-9-22(28)24-21-12-15-27(17-21)16-20-6-4-3-5-7-20/h3-7,19,21H,8-18H2,1-2H3,(H,24,28).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 400.57 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 72852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).