4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide

C22H30FN5O4S — CID 15486975

IUPAC4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)C1CN(CC2CC2)CCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C22H30FN5O4S/c23-17-3-4-20-18(11-17)19(12-24-20)16-5-7-27(8-6-16)33(31,32)28-10-9-26(13-15-1-2-15)14-21(28)22(29)25-30/h3-4,11-12,15-16,21,24,30H,1-2,5-10,13-14H2,(H,25,29)
InChIKeyAFNJYPCPILRYBJ-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.63
Rot. Bonds6

About 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide

4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide (PubChem CID 15486975) has the molecular formula C22H30FN5O4S and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
PubChem CID15486975
Molecular FormulaC22H30FN5O4S
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC Name4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)C1CN(CC2CC2)CCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C22H30FN5O4S/c23-17-3-4-20-18(11-17)19(12-24-20)16-5-7-27(8-6-16)33(31,32)28-10-9-26(13-15-1-2-15)14-21(28)22(29)25-30/h3-4,11-12,15-16,21,24,30H,1-2,5-10,13-14H2,(H,25,29)
InChIKeyAFNJYPCPILRYBJ-UHFFFAOYSA-N
XLogP1.63
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide (CID 15486975) is 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide is O=C(NO)C1CN(CC2CC2)CCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The InChIKey is AFNJYPCPILRYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O4S/c23-17-3-4-20-18(11-17)19(12-24-20)16-5-7-27(8-6-16)33(31,32)28-10-9-26(13-15-1-2-15)14-21(28)22(29)25-30/h3-4,11-12,15-16,21,24,30H,1-2,5-10,13-14H2,(H,25,29).
What are the key properties of 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide is sourced from PubChem (CID 15486975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).