3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C19H29N3O3S — CID 113136398

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCN(C3CC3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)17-5-3-16(4-6-17)20-19(23)11-14-22(18-7-8-18)26(2,24)25/h3-6,15,18H,7-14H2,1-2H3,(H,20,23)
InChIKeyOCTPCDHOIHFYHJ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.68
Rot. Bonds7

About 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 113136398) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID113136398
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCN(C3CC3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)17-5-3-16(4-6-17)20-19(23)11-14-22(18-7-8-18)26(2,24)25/h3-6,15,18H,7-14H2,1-2H3,(H,20,23)
InChIKeyOCTPCDHOIHFYHJ-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
3-(dimethylamino)-N-[4-[4-(dimethylamino)azepan-1-yl]phenyl]propanamide
CID 143632733
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 113136398) is 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)CCN(C3CC3)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is OCTPCDHOIHFYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)17-5-3-16(4-6-17)20-19(23)11-14-22(18-7-8-18)26(2,24)25/h3-6,15,18H,7-14H2,1-2H3,(H,20,23).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 113136398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).