cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate

C14H24N2O2 — CID 61150843

IUPACcyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESO=C(OCC1CC1)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H24N2O2/c17-14(18-10-11-3-4-11)13-2-1-9-16(13)12-5-7-15-8-6-12/h11-13,15H,1-10H2
InChIKeyYAWVWSWWCVCDIB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds4

About cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate

cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate (PubChem CID 61150843) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
PubChem CID61150843
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namecyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESO=C(OCC1CC1)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H24N2O2/c17-14(18-10-11-3-4-11)13-2-1-9-16(13)12-5-7-15-8-6-12/h11-13,15H,1-10H2
InChIKeyYAWVWSWWCVCDIB-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61278696
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61285740
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate (CID 61150843) is cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate is O=C(OCC1CC1)C1CCCN1C1CCNCC1.
What is the InChIKey of cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The InChIKey is YAWVWSWWCVCDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18-10-11-3-4-11)13-2-1-9-16(13)12-5-7-15-8-6-12/h11-13,15H,1-10H2.
What are the key properties of cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate?
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 61150843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).