(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid

C21H27N5O2 — CID 97203633

IUPAC(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)[C@H](c1ccc(N2CCCCC2)nc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(28)20(17-4-5-19(23-16-17)25-10-2-1-3-11-25)26-14-12-24(13-15-26)18-6-8-22-9-7-18/h4-9,16,20H,1-3,10-15H2,(H,27,28)/t20-/m0/s1
InChIKeyYPBPPPSVDIOIIV-FQEVSTJZSA-N
MW381.48 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid

(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid (PubChem CID 97203633) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
PubChem CID97203633
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)[C@H](c1ccc(N2CCCCC2)nc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(28)20(17-4-5-19(23-16-17)25-10-2-1-3-11-25)26-14-12-24(13-15-26)18-6-8-22-9-7-18/h4-9,16,20H,1-3,10-15H2,(H,27,28)/t20-/m0/s1
InChIKeyYPBPPPSVDIOIIV-FQEVSTJZSA-N
XLogP2.41
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
CID 72931809
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72900257
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
4-pyrrolidin-1-ylpyridine
CID 158456628
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2,5-di(piperidin-1-yl)pyridine
CID 56695292
2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 72858935
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid?
The IUPAC name of (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid (CID 97203633) is (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid is O=C(O)[C@H](c1ccc(N2CCCCC2)nc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid?
The InChIKey is YPBPPPSVDIOIIV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(28)20(17-4-5-19(23-16-17)25-10-2-1-3-11-25)26-14-12-24(13-15-26)18-6-8-22-9-7-18/h4-9,16,20H,1-3,10-15H2,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid?
(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid has a molecular weight of 381.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 97203633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).