phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate

C16H23N3O2 — CID 80552619

IUPACphenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESNC1CCN(C2CCN(C(=O)Oc3ccccc3)C2)CC1
InChIInChI=1S/C16H23N3O2/c17-13-6-9-18(10-7-13)14-8-11-19(12-14)16(20)21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2
InChIKeyVETOBGAAFQUJPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds2

About phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate

phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 80552619) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID80552619
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namephenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESNC1CCN(C2CCN(C(=O)Oc3ccccc3)C2)CC1
InChIInChI=1S/C16H23N3O2/c17-13-6-9-18(10-7-13)14-8-11-19(12-14)16(20)21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2
InChIKeyVETOBGAAFQUJPG-UHFFFAOYSA-N
XLogP1.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
[4-[4-(hydroxymethyl)phenoxy]phenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325528
(4-phenyldiazenylphenyl) 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 42629402
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate (CID 80552619) is phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate is NC1CCN(C2CCN(C(=O)Oc3ccccc3)C2)CC1.
What is the InChIKey of phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is VETOBGAAFQUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-13-6-9-18(10-7-13)14-8-11-19(12-14)16(20)21-15-4-2-1-3-5-15/h1-5,13-14H,6-12,17H2.
What are the key properties of phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate?
phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 80552619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).