4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide

C24H30N4O4S — CID 5181010

IUPAC4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C24H30N4O4S/c29-23(26-18-19-5-4-14-25-17-19)10-11-24(30)27-15-12-21(13-16-27)28(20-8-9-20)33(31,32)22-6-2-1-3-7-22/h1-7,14,17,20-21H,8-13,15-16,18H2,(H,26,29)
InChIKeyKVNGDLDNDPQDGG-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.32
Rot. Bonds9

About 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide

4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 5181010) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
PubChem CID5181010
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C24H30N4O4S/c29-23(26-18-19-5-4-14-25-17-19)10-11-24(30)27-15-12-21(13-16-27)28(20-8-9-20)33(31,32)22-6-2-1-3-7-22/h1-7,14,17,20-21H,8-13,15-16,18H2,(H,26,29)
InChIKeyKVNGDLDNDPQDGG-UHFFFAOYSA-N
XLogP2.32
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
CID 141139016
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663

Frequently Asked Questions

What is the IUPAC name of 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (CID 5181010) is 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is O=C(CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1)NCc1cccnc1.
What is the InChIKey of 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is KVNGDLDNDPQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-23(26-18-19-5-4-14-25-17-19)10-11-24(30)27-15-12-21(13-16-27)28(20-8-9-20)33(31,32)22-6-2-1-3-7-22/h1-7,14,17,20-21H,8-13,15-16,18H2,(H,26,29).
What are the key properties of 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 470.60 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 5181010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).