1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide

C18H25N3O2 — CID 95351345

IUPAC1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c19-17(22)14-9-11-21(12-10-14)18(23)20-16-8-4-2-6-13-5-1-3-7-15(13)16/h1,3,5,7,14,16H,2,4,6,8-12H2,(H2,19,22)(H,20,23)/t16-/m1/s1
InChIKeyOJBYSPCYNMNWBH-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds2

About 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide

1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide (PubChem CID 95351345) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
PubChem CID95351345
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c19-17(22)14-9-11-21(12-10-14)18(23)20-16-8-4-2-6-13-5-1-3-7-15(13)16/h1,3,5,7,14,16H,2,4,6,8-12H2,(H2,19,22)(H,20,23)/t16-/m1/s1
InChIKeyOJBYSPCYNMNWBH-MRXNPFEDSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512640
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 94163114
1-butanoyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-4-carboxamide
CID 95287998
(3R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 100840651
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 69233352
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide (CID 95351345) is 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)CC1.
What is the InChIKey of 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide?
The InChIKey is OJBYSPCYNMNWBH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(22)14-9-11-21(12-10-14)18(23)20-16-8-4-2-6-13-5-1-3-7-15(13)16/h1,3,5,7,14,16H,2,4,6,8-12H2,(H2,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide?
1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 95351345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).