N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide

C21H35N5O5S — CID 55633380

IUPACN-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1
InChIInChI=1S/C21H35N5O5S/c1-23-16-18(32(29,30)26-8-4-3-5-9-26)15-19(23)21(28)25-12-10-24(11-13-25)17-20(27)22-7-6-14-31-2/h15-16H,3-14,17H2,1-2H3,(H,22,27)
InChIKeyWCMJRWOUIAJUKA-UHFFFAOYSA-N
MW469.61 g/mol
LogP0.11
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55633380) has the molecular formula C21H35N5O5S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55633380
Molecular FormulaC21H35N5O5S
Molecular Weight469.61 g/mol
Exact Mass469.24
IUPAC NameN-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1
InChIInChI=1S/C21H35N5O5S/c1-23-16-18(32(29,30)26-8-4-3-5-9-26)15-19(23)21(28)25-12-10-24(11-13-25)17-20(27)22-7-6-14-31-2/h15-16H,3-14,17H2,1-2H3,(H,22,27)
InChIKeyWCMJRWOUIAJUKA-UHFFFAOYSA-N
XLogP0.11
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
CID 55427135
N,N-diethyl-2-[4-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55452089
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 22518965
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064294
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55822066
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55955220
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55474104

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide (CID 55633380) is N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WCMJRWOUIAJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O5S/c1-23-16-18(32(29,30)26-8-4-3-5-9-26)15-19(23)21(28)25-12-10-24(11-13-25)17-20(27)22-7-6-14-31-2/h15-16H,3-14,17H2,1-2H3,(H,22,27).
What are the key properties of N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55633380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).