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

C19H29N5O3 — CID 71533679

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)17-4-3-15(13-21-17)18(20)25/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25)
InChIKeySLFVKTUERQHULI-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.31
Rot. Bonds4

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

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 71533679) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID71533679
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1
InChIInChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)17-4-3-15(13-21-17)18(20)25/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25)
InChIKeySLFVKTUERQHULI-UHFFFAOYSA-N
XLogP1.31
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 50922681
CID 50922681
CID 714698
CID 714698
CID 453312
CID 453312
CID 463148
CID 463148
CID 463545
CID 463545
CID 463555
CID 463555
CID 470713
CID 470713
CID 5327625
CID 5327625
CID 146592641
CID 146592641
CID 146637370
CID 146637370
CID 146637372
CID 146637372
CID 3040782
CID 3040782

Frequently Asked Questions

What is the IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 71533679) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(C(N)=O)cn3)CC2)CC1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is SLFVKTUERQHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)17-4-3-15(13-21-17)18(20)25/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 71533679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).