N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide

C23H31N5O2S — CID 45216855

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N5O2S/c1-17-22(31-26-25-17)23(30)28-13-9-18(10-14-28)7-8-21(29)24-20-11-12-27(16-20)15-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,24,29)
InChIKeyIVJVMMXZLKXKRO-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.87
Rot. Bonds7

About N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide

N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45216855) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID45216855
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N5O2S/c1-17-22(31-26-25-17)23(30)28-13-9-18(10-14-28)7-8-21(29)24-20-11-12-27(16-20)15-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,24,29)
InChIKeyIVJVMMXZLKXKRO-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
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N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 26320267
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
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N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide
CID 42197580
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
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CID 25380199
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide (CID 45216855) is N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1nnsc1C(=O)N1CCC(CCC(=O)NC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is IVJVMMXZLKXKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-17-22(31-26-25-17)23(30)28-13-9-18(10-14-28)7-8-21(29)24-20-11-12-27(16-20)15-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,24,29).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 441.60 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45216855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).