2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate

C16H26N4O2 — CID 141163306

IUPAC2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-18(2)11-12-22-16(21)19-9-6-14(7-10-19)20-15(5-8-17-20)13-3-4-13/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3
InChIKeyKXSWVDKVFDKJIV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds5

About 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate

2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 141163306) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID141163306
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-18(2)11-12-22-16(21)19-9-6-14(7-10-19)20-15(5-8-17-20)13-3-4-13/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3
InChIKeyKXSWVDKVFDKJIV-UHFFFAOYSA-N
XLogP2.10
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate (CID 141163306) is 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate is CN(C)CCOC(=O)N1CCC(n2nccc2C2CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is KXSWVDKVFDKJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)11-12-22-16(21)19-9-6-14(7-10-19)20-15(5-8-17-20)13-3-4-13/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate?
2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 141163306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).