N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide

C17H31N5O — CID 75428135

IUPACN,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
SMILESCC(NC1CCN(CC(=O)N(C)C)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C17H31N5O/c1-13(2)22-11-15(10-18-22)14(3)19-16-6-8-21(9-7-16)12-17(23)20(4)5/h10-11,13-14,16,19H,6-9,12H2,1-5H3
InChIKeyYCBRZKWNMJEMAJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.67
Rot. Bonds6

About N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide (PubChem CID 75428135) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
PubChem CID75428135
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
SMILESCC(NC1CCN(CC(=O)N(C)C)CC1)c1cnn(C(C)C)c1
InChIInChI=1S/C17H31N5O/c1-13(2)22-11-15(10-18-22)14(3)19-16-6-8-21(9-7-16)12-17(23)20(4)5/h10-11,13-14,16,19H,6-9,12H2,1-5H3
InChIKeyYCBRZKWNMJEMAJ-UHFFFAOYSA-N
XLogP1.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide (CID 75428135) is N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide is CC(NC1CCN(CC(=O)N(C)C)CC1)c1cnn(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is YCBRZKWNMJEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-13(2)22-11-15(10-18-22)14(3)19-16-6-8-21(9-7-16)12-17(23)20(4)5/h10-11,13-14,16,19H,6-9,12H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 321.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 75428135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).