1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H24N2O2 — CID 54906959

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)13-2-1-7-16(13)12-5-8-15(9-6-12)10-11-3-4-11/h11-13H,1-10H2,(H,17,18)
InChIKeyZKCNLBYNHWLHAF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 54906959) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID54906959
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)13-2-1-7-16(13)12-5-8-15(9-6-12)10-11-3-4-11/h11-13H,1-10H2,(H,17,18)
InChIKeyZKCNLBYNHWLHAF-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 107530315
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 54906959) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZKCNLBYNHWLHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18)13-2-1-7-16(13)12-5-8-15(9-6-12)10-11-3-4-11/h11-13H,1-10H2,(H,17,18).
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54906959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).