1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H22N4O3 — CID 61019770

IUPAC1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCC(N3CCCC3C(=O)O)CC2)o1
InChIInChI=1S/C14H22N4O3/c1-10-15-16-13(21-10)9-17-7-4-11(5-8-17)18-6-2-3-12(18)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyNWTCXAKQJQQHNB-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds4

About 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61019770) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61019770
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCC(N3CCCC3C(=O)O)CC2)o1
InChIInChI=1S/C14H22N4O3/c1-10-15-16-13(21-10)9-17-7-4-11(5-8-17)18-6-2-3-12(18)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyNWTCXAKQJQQHNB-UHFFFAOYSA-N
XLogP0.89
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
(3R)-N-cyclopropyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549082
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371917
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61019770) is 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is Cc1nnc(CN2CCC(N3CCCC3C(=O)O)CC2)o1.
What is the InChIKey of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is NWTCXAKQJQQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-15-16-13(21-10)9-17-7-4-11(5-8-17)18-6-2-3-12(18)14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61019770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).