2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid

C19H29N5O3 — CID 90342902

IUPAC2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)O)C(C2CCN(c3ccc(C(N)=O)cn3)CC2)C1
InChIInChI=1S/C19H29N5O3/c1-13(2)23-9-10-24(19(26)27)16(12-23)14-5-7-22(8-6-14)17-4-3-15(11-21-17)18(20)25/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H2,20,25)(H,26,27)
InChIKeyPRLOCXOLFFIYAN-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid (PubChem CID 90342902) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid
PubChem CID90342902
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)O)C(C2CCN(c3ccc(C(N)=O)cn3)CC2)C1
InChIInChI=1S/C19H29N5O3/c1-13(2)23-9-10-24(19(26)27)16(12-23)14-5-7-22(8-6-14)17-4-3-15(11-21-17)18(20)25/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H2,20,25)(H,26,27)
InChIKeyPRLOCXOLFFIYAN-UHFFFAOYSA-N
XLogP1.47
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid?
The IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid (CID 90342902) is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid is CC(C)N1CCN(C(=O)O)C(C2CCN(c3ccc(C(N)=O)cn3)CC2)C1.
What is the InChIKey of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid?
The InChIKey is PRLOCXOLFFIYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-13(2)23-9-10-24(19(26)27)16(12-23)14-5-7-22(8-6-14)17-4-3-15(11-21-17)18(20)25/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H2,20,25)(H,26,27).
What are the key properties of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid?
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 90342902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).