N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide

C18H31N5O3S — CID 97278913

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C18H31N5O3S/c1-21-10-7-16(8-11-21)22(2)18(24)6-5-15-4-3-9-23(14-15)27(25,26)17-12-19-20-13-17/h12-13,15-16H,3-11,14H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyKDCNFPYEEKKGSI-OAHLLOKOSA-N
MW397.55 g/mol
LogP1.14
Rot. Bonds6

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide (PubChem CID 97278913) has the molecular formula C18H31N5O3S and a molecular weight of 397.55 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide
PubChem CID97278913
Molecular FormulaC18H31N5O3S
Molecular Weight397.55 g/mol
Exact Mass397.21
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C18H31N5O3S/c1-21-10-7-16(8-11-21)22(2)18(24)6-5-15-4-3-9-23(14-15)27(25,26)17-12-19-20-13-17/h12-13,15-16H,3-11,14H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyKDCNFPYEEKKGSI-OAHLLOKOSA-N
XLogP1.14
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanoic acid
CID 133133054
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
CID 43558569
CID 43558569
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
CID 167911154
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide (CID 97278913) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide is CN1CCC(N(C)C(=O)CC[C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide?
The InChIKey is KDCNFPYEEKKGSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N5O3S/c1-21-10-7-16(8-11-21)22(2)18(24)6-5-15-4-3-9-23(14-15)27(25,26)17-12-19-20-13-17/h12-13,15-16H,3-11,14H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide has a molecular weight of 397.55 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 97278913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).