methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate

C14H25N3O2 — CID 97062619

IUPACmethyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)C1
InChIInChI=1S/C14H25N3O2/c1-19-14(18)17-7-2-3-11(10-17)15-12-6-8-16(9-12)13-4-5-13/h11-13,15H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyDWHZMQTVBGTBTC-VXGBXAGGSA-N
MW267.37 g/mol
LogP1.04
Rot. Bonds3

About methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate

methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 97062619) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate
PubChem CID97062619
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)C1
InChIInChI=1S/C14H25N3O2/c1-19-14(18)17-7-2-3-11(10-17)15-12-6-8-16(9-12)13-4-5-13/h11-13,15H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyDWHZMQTVBGTBTC-VXGBXAGGSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
N-(1-cyclopropylpyrrolidin-3-yl)-1-ethylpiperidin-3-amine
CID 62982857
cyclopropyl-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
CID 62981831
cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 124737514
1-[3-(cyclopropylamino)piperidin-1-yl]ethanone
CID 66569302
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
ethyl 4-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclohexane-1-carboxylate
CID 62981321
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate (CID 97062619) is methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate is COC(=O)N1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)C1.
What is the InChIKey of methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is DWHZMQTVBGTBTC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-19-14(18)17-7-2-3-11(10-17)15-12-6-8-16(9-12)13-4-5-13/h11-13,15H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate?
methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).