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

C19H30N4O2 — CID 19068074

IUPAC2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)15-23-12-5-17(6-13-23)16-3-10-22(11-4-16)14-9-21-18-1-7-20-8-2-18/h1-2,7-8,16-17H,3-6,9-15H2,(H,20,21)(H,24,25)
InChIKeyNCBWOXFOSXJLNP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.00
Rot. Bonds7

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

2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid (PubChem CID 19068074) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid
PubChem CID19068074
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)15-23-12-5-17(6-13-23)16-3-10-22(11-4-16)14-9-21-18-1-7-20-8-2-18/h1-2,7-8,16-17H,3-6,9-15H2,(H,20,21)(H,24,25)
InChIKeyNCBWOXFOSXJLNP-UHFFFAOYSA-N
XLogP2.00
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-4-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]decane-2-carbonyl)-piperazin-1-yl]-acetic acid
CID 44268271
[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-piperazin-1-yl]-acetic acid
CID 44268276
[4-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-piperidin-1-yl]-acetic acid
CID 44268375
(3-Pyridin-4-yl-3-aza-spiro[5.5]undec-9-ylamino)-acetic acid
CID 44459631
(3R,4R)-1-pyridin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 49797226
2-[4-(Pyridin-4-yl)piperazin-1-yl]acetic acid dihydrochloride
CID 18918527
1-[(2R)-2-acetamido-3-methylbutanoyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 32027338
1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 38587431
2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide
CID 75441423
N1-(2,5-difluorophenyl)-N2-((1-(pyridin-4-yl)piperidin-4-yl)methyl)oxalamide
CID 86263493
2-((Pyridin-4-yl)amino)acetic acid hydrochloride
CID 53407486
N1-((1-(pyridin-4-yl)piperidin-4-yl)methyl)oxalamide
CID 86263499

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid (CID 19068074) is 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C2CCN(CCNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid?
The InChIKey is NCBWOXFOSXJLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-19(25)15-23-12-5-17(6-13-23)16-3-10-22(11-4-16)14-9-21-18-1-7-20-8-2-18/h1-2,7-8,16-17H,3-6,9-15H2,(H,20,21)(H,24,25).
What are the key properties of 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid?
2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid has a molecular weight of 346.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 19068074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).