2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid

C19H29N3O2 — CID 15839391

IUPAC2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(24)13-15-1-3-18(4-2-15)22-11-7-16(8-12-22)14-21-17-5-9-20-10-6-17/h5-6,9-10,15-16,18H,1-4,7-8,11-14H2,(H,20,21)(H,23,24)
InChIKeyVJXQMVWQFVIAAL-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid

2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid (PubChem CID 15839391) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid
PubChem CID15839391
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCC(CNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(24)13-15-1-3-18(4-2-15)22-11-7-16(8-12-22)14-21-17-5-9-20-10-6-17/h5-6,9-10,15-16,18H,1-4,7-8,11-14H2,(H,20,21)(H,23,24)
InChIKeyVJXQMVWQFVIAAL-UHFFFAOYSA-N
XLogP3.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid (CID 15839391) is 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCC(CNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid?
The InChIKey is VJXQMVWQFVIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(24)13-15-1-3-18(4-2-15)22-11-7-16(8-12-22)14-21-17-5-9-20-10-6-17/h5-6,9-10,15-16,18H,1-4,7-8,11-14H2,(H,20,21)(H,23,24).
What are the key properties of 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid has a molecular weight of 331.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 15839391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).