(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

C19H33N3O2 — CID 26405433

IUPAC(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H33N3O2/c1-14(2)20(3)18(23)16-5-4-10-22(13-16)17-8-11-21(12-9-17)19(24)15-6-7-15/h14-17H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyLKZYBNGQUXVHJN-INIZCTEOSA-N
MW335.49 g/mol
LogP1.97
Rot. Bonds4

About (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 26405433) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID26405433
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C19H33N3O2/c1-14(2)20(3)18(23)16-5-4-10-22(13-16)17-8-11-21(12-9-17)19(24)15-6-7-15/h14-17H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyLKZYBNGQUXVHJN-INIZCTEOSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentylpropyl)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 45204711
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
CID 153039047
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-3-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 56860933
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56876106
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 70735176
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 95557482
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (CID 26405433) is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is LKZYBNGQUXVHJN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-14(2)20(3)18(23)16-5-4-10-22(13-16)17-8-11-21(12-9-17)19(24)15-6-7-15/h14-17H,4-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 26405433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).