3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C22H33N5O2 — CID 97283182

IUPAC3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)CC1
InChIInChI=1S/C22H33N5O2/c1-24-11-8-19(9-12-24)26(3)21(28)7-6-17-5-4-10-27(16-17)22(29)20-13-18(14-23)15-25(20)2/h13,15,17,19H,4-12,16H2,1-3H3/t17-/m1/s1
InChIKeyODIPZRCGYJNKEE-QGZVFWFLSA-N
MW399.54 g/mol
LogP2.08
Rot. Bonds5

About 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 97283182) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID97283182
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)CC1
InChIInChI=1S/C22H33N5O2/c1-24-11-8-19(9-12-24)26(3)21(28)7-6-17-5-4-10-27(16-17)22(29)20-13-18(14-23)15-25(20)2/h13,15,17,19H,4-12,16H2,1-3H3/t17-/m1/s1
InChIKeyODIPZRCGYJNKEE-QGZVFWFLSA-N
XLogP2.08
TPSA72.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
CID 42378388
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45247849
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45238368
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42360456
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422200
5-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 137342299
1-methyl-5-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyrrole-3-carbonitrile
CID 128996045
5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72870546
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 97283182) is 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)CC1.
What is the InChIKey of 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ODIPZRCGYJNKEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-24-11-8-19(9-12-24)26(3)21(28)7-6-17-5-4-10-27(16-17)22(29)20-13-18(14-23)15-25(20)2/h13,15,17,19H,4-12,16H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 97283182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).