N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide

C20H32N6O2 — CID 56861430

IUPACN-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(NC(=O)CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C20H32N6O2/c1-24-13-17(11-21-24)22-19(27)14-25-9-6-18(7-10-25)26-8-2-3-15(12-26)20(28)23-16-4-5-16/h11,13,15-16,18H,2-10,12,14H2,1H3,(H,22,27)(H,23,28)
InChIKeyQCDXJJATAOAHHY-UHFFFAOYSA-N
MW388.52 g/mol
LogP0.81
Rot. Bonds6

About N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56861430) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56861430
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC NameN-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(NC(=O)CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C20H32N6O2/c1-24-13-17(11-21-24)22-19(27)14-25-9-6-18(7-10-25)26-8-2-3-15(12-26)20(28)23-16-4-5-16/h11,13,15-16,18H,2-10,12,14H2,1H3,(H,22,27)(H,23,28)
InChIKeyQCDXJJATAOAHHY-UHFFFAOYSA-N
XLogP0.81
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 25295064
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
(3R)-N-cyclopropyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549082
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56861430) is N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide is Cn1cc(NC(=O)CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QCDXJJATAOAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-24-13-17(11-21-24)22-19(27)14-25-9-6-18(7-10-25)26-8-2-3-15(12-26)20(28)23-16-4-5-16/h11,13,15-16,18H,2-10,12,14H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56861430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).