4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide

C15H27N3O2 — CID 97232797

IUPAC4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
SMILESCCO[C@H]1C[C@H](NC2CCN(C(N)=O)CC2)C12CCC2
InChIInChI=1S/C15H27N3O2/c1-2-20-13-10-12(15(13)6-3-7-15)17-11-4-8-18(9-5-11)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19)/t12-,13-/m0/s1
InChIKeySWZGEPMRPCSIBZ-STQMWFEESA-N
MW281.40 g/mol
LogP1.47
Rot. Bonds4

About 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide

4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide (PubChem CID 97232797) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
PubChem CID97232797
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
SMILESCCO[C@H]1C[C@H](NC2CCN(C(N)=O)CC2)C12CCC2
InChIInChI=1S/C15H27N3O2/c1-2-20-13-10-12(15(13)6-3-7-15)17-11-4-8-18(9-5-11)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19)/t12-,13-/m0/s1
InChIKeySWZGEPMRPCSIBZ-STQMWFEESA-N
XLogP1.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide with MolForge

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Related Compounds

[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383308
[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97232801
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
CID 97052854
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383332
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide (CID 97232797) is 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide is CCO[C@H]1C[C@H](NC2CCN(C(N)=O)CC2)C12CCC2.
What is the InChIKey of 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide?
The InChIKey is SWZGEPMRPCSIBZ-STQMWFEESA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-20-13-10-12(15(13)6-3-7-15)17-11-4-8-18(9-5-11)14(16)19/h11-13,17H,2-10H2,1H3,(H2,16,19)/t12-,13-/m0/s1.
What are the key properties of 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide?
4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 97232797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).