N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide

C18H27N3O3S — CID 119987555

IUPACN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-2-18(22)20-16-5-7-17(8-6-16)25(23,24)21-11-9-15(10-12-21)19-13-14-3-4-14/h5-8,14-15,19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyBBXYZVCBSKTTEA-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.19
Rot. Bonds7

About N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide

N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 119987555) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID119987555
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-2-18(22)20-16-5-7-17(8-6-16)25(23,24)21-11-9-15(10-12-21)19-13-14-3-4-14/h5-8,14-15,19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyBBXYZVCBSKTTEA-UHFFFAOYSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 46287323
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide
CID 119987844
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide (CID 119987555) is N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is BBXYZVCBSKTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-18(22)20-16-5-7-17(8-6-16)25(23,24)21-11-9-15(10-12-21)19-13-14-3-4-14/h5-8,14-15,19H,2-4,9-13H2,1H3,(H,20,22).
What are the key properties of N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide?
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 365.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 119987555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).