(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide

C20H29N3O2 — CID 124596642

IUPAC(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide
SMILESC[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O2/c1-14(16-9-8-15-5-2-3-6-17(15)11-16)22-12-19(24)23-10-4-7-18(13-23)20(21)25/h8-9,11,14,18,22H,2-7,10,12-13H2,1H3,(H2,21,25)/t14-,18+/m0/s1
InChIKeyZYJDIZPZFJBQAP-KBXCAEBGSA-N
MW343.47 g/mol
LogP1.94
Rot. Bonds5

About (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide

(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide (PubChem CID 124596642) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide
PubChem CID124596642
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide
SMILESC[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O2/c1-14(16-9-8-15-5-2-3-6-17(15)11-16)22-12-19(24)23-10-4-7-18(13-23)20(21)25/h8-9,11,14,18,22H,2-7,10,12-13H2,1H3,(H2,21,25)/t14-,18+/m0/s1
InChIKeyZYJDIZPZFJBQAP-KBXCAEBGSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 100837155
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8588484
4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide
CID 87000226
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528
1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 97283398
(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621939
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621933
(3S)-1-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperidin-1-ium-3-carboxamide
CID 8545150

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide (CID 124596642) is (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide is C[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide?
The InChIKey is ZYJDIZPZFJBQAP-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(16-9-8-15-5-2-3-6-17(15)11-16)22-12-19(24)23-10-4-7-18(13-23)20(21)25/h8-9,11,14,18,22H,2-7,10,12-13H2,1H3,(H2,21,25)/t14-,18+/m0/s1.
What are the key properties of (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide?
(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 124596642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).