1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide

C18H29N5O4S — CID 52510740

IUPAC1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)C1
InChIInChI=1S/C18H29N5O4S/c1-14-3-2-7-22(12-14)18(25)15-4-8-21(9-5-15)17(24)6-10-23-13-16(11-20-23)28(19,26)27/h11,13-15H,2-10,12H2,1H3,(H2,19,26,27)/t14-/m0/s1
InChIKeyFZKNUIKCZJYRPJ-AWEZNQCLSA-N
MW411.53 g/mol
LogP0.42
Rot. Bonds5

About 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide

1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide (PubChem CID 52510740) has the molecular formula C18H29N5O4S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
PubChem CID52510740
Molecular FormulaC18H29N5O4S
Molecular Weight411.53 g/mol
Exact Mass411.19
IUPAC Name1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)C1
InChIInChI=1S/C18H29N5O4S/c1-14-3-2-7-22(12-14)18(25)15-4-8-21(9-5-15)17(24)6-10-23-13-16(11-20-23)28(19,26)27/h11,13-15H,2-10,12H2,1H3,(H2,19,26,27)/t14-/m0/s1
InChIKeyFZKNUIKCZJYRPJ-AWEZNQCLSA-N
XLogP0.42
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365828
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55662128
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 61225613
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
3-(3,4-dichlorophenoxy)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55676294
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide (CID 52510740) is 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide is C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)C1.
What is the InChIKey of 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The InChIKey is FZKNUIKCZJYRPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N5O4S/c1-14-3-2-7-22(12-14)18(25)15-4-8-21(9-5-15)17(24)6-10-23-13-16(11-20-23)28(19,26)27/h11,13-15H,2-10,12H2,1H3,(H2,19,26,27)/t14-/m0/s1.
What are the key properties of 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 52510740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).