2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid

C22H26N2O3 — CID 72838048

IUPAC2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C22H26N2O3/c25-22(26)21(19-3-5-20(6-4-19)27-15-16-1-2-16)24-13-9-18(10-14-24)17-7-11-23-12-8-17/h3-8,11-12,16,18,21H,1-2,9-10,13-15H2,(H,25,26)
InChIKeyTXLDNSJSLGMSTE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.88
Rot. Bonds7

About 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid

2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid (PubChem CID 72838048) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
PubChem CID72838048
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C22H26N2O3/c25-22(26)21(19-3-5-20(6-4-19)27-15-16-1-2-16)24-13-9-18(10-14-24)17-7-11-23-12-8-17/h3-8,11-12,16,18,21H,1-2,9-10,13-15H2,(H,25,26)
InChIKeyTXLDNSJSLGMSTE-UHFFFAOYSA-N
XLogP3.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 79980662
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
methyl 3-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate
CID 18918309
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
(2R)-2-(2,3-dimethoxy-5-methylphenyl)-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid
CID 97268824
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
(2R)-2-[4-(2-methoxyethoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 97208791
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid (CID 72838048) is 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid is O=C(O)C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid?
The InChIKey is TXLDNSJSLGMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(26)21(19-3-5-20(6-4-19)27-15-16-1-2-16)24-13-9-18(10-14-24)17-7-11-23-12-8-17/h3-8,11-12,16,18,21H,1-2,9-10,13-15H2,(H,25,26).
What are the key properties of 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid?
2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid has a molecular weight of 366.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)phenyl]-2-(4-pyridin-4-ylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 72838048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).