(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid

C16H25N3O2 — CID 97123703

IUPAC(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-4-16(15(20)21)8-5-9-19(12-16)11-13-6-7-14(17-10-13)18(2)3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyVPSAXWGZURZXCJ-MRXNPFEDSA-N
MW291.40 g/mol
LogP2.22
Rot. Bonds5

About (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid

(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 97123703) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID97123703
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-4-16(15(20)21)8-5-9-19(12-16)11-13-6-7-14(17-10-13)18(2)3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyVPSAXWGZURZXCJ-MRXNPFEDSA-N
XLogP2.22
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137125
3-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 64773302
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151956
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
1-[[3-(difluoromethyl)phenyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 115529620
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid (CID 97123703) is (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid is CC[C@@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)nc2)C1.
What is the InChIKey of (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is VPSAXWGZURZXCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-16(15(20)21)8-5-9-19(12-16)11-13-6-7-14(17-10-13)18(2)3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid?
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 291.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97123703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).