N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide

C27H33N5O — CID 75404078

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc3cccnc23)CC1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C27H33N5O/c33-26(29-18-22-11-13-32(19-22)25-9-2-1-3-10-25)21-31-16-14-30(15-17-31)20-24-7-4-6-23-8-5-12-28-27(23)24/h1-10,12,22H,11,13-21H2,(H,29,33)
InChIKeyFEINJHGLNAJBMO-UHFFFAOYSA-N
MW443.60 g/mol
LogP3.00
Rot. Bonds7

About N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide

N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 75404078) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
PubChem CID75404078
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc3cccnc23)CC1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C27H33N5O/c33-26(29-18-22-11-13-32(19-22)25-9-2-1-3-10-25)21-31-16-14-30(15-17-31)20-24-7-4-6-23-8-5-12-28-27(23)24/h1-10,12,22H,11,13-21H2,(H,29,33)
InChIKeyFEINJHGLNAJBMO-UHFFFAOYSA-N
XLogP3.00
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55833151
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 97217638
2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 102562250
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide (CID 75404078) is N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccc3cccnc23)CC1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is FEINJHGLNAJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c33-26(29-18-22-11-13-32(19-22)25-9-2-1-3-10-25)21-31-16-14-30(15-17-31)20-24-7-4-6-23-8-5-12-28-27(23)24/h1-10,12,22H,11,13-21H2,(H,29,33).
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide?
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 443.60 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75404078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).