1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone

C19H32N2O — CID 129432914

IUPAC1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]32)CC1
InChIInChI=1S/C19H32N2O/c1-13(22)21-9-6-14(7-10-21)5-8-20-19-12-15-11-18(19)17-4-2-3-16(15)17/h14-20H,2-12H2,1H3/t15-,16-,17+,18+,19-/m1/s1
InChIKeyNHBNGSRXBDPAAA-ZSXDVEMLSA-N
MW304.48 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone (PubChem CID 129432914) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone
PubChem CID129432914
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]32)CC1
InChIInChI=1S/C19H32N2O/c1-13(22)21-9-6-14(7-10-21)5-8-20-19-12-15-11-18(19)17-4-2-3-16(15)17/h14-20H,2-12H2,1H3/t15-,16-,17+,18+,19-/m1/s1
InChIKeyNHBNGSRXBDPAAA-ZSXDVEMLSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
N-(4-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886378
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 113375261

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone (CID 129432914) is 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]32)CC1.
What is the InChIKey of 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone?
The InChIKey is NHBNGSRXBDPAAA-ZSXDVEMLSA-N. The full InChI is InChI=1S/C19H32N2O/c1-13(22)21-9-6-14(7-10-21)5-8-20-19-12-15-11-18(19)17-4-2-3-16(15)17/h14-20H,2-12H2,1H3/t15-,16-,17+,18+,19-/m1/s1.
What are the key properties of 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone has a molecular weight of 304.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 129432914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).