3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide

C28H37N5O3 — CID 134804606

IUPAC3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C28H37N5O3/c34-26(9-8-20-15-29-24-5-2-1-4-23(20)24)30-22-10-12-31(13-11-22)28(36)32-16-19-14-21(18-32)25-6-3-7-27(35)33(25)17-19/h1-2,4-5,15,19,21-22,25,29H,3,6-14,16-18H2,(H,30,34)/t19?,21?,25-/m1/s1
InChIKeyLLVPNMFWZUZDMS-BPOAOHNVSA-N
MW491.64 g/mol
LogP3.13
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide

3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide (PubChem CID 134804606) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
PubChem CID134804606
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C28H37N5O3/c34-26(9-8-20-15-29-24-5-2-1-4-23(20)24)30-22-10-12-31(13-11-22)28(36)32-16-19-14-21(18-32)25-6-3-7-27(35)33(25)17-19/h1-2,4-5,15,19,21-22,25,29H,3,6-14,16-18H2,(H,30,34)/t19?,21?,25-/m1/s1
InChIKeyLLVPNMFWZUZDMS-BPOAOHNVSA-N
XLogP3.13
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

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CID 11620371
Iqm-97,423
CID 11757476
1H-Indole-3-acetamide, N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-
CID 11588880
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CID 9915239

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide (CID 134804606) is 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide is O=C(CCc1c[nH]c2ccccc12)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is LLVPNMFWZUZDMS-BPOAOHNVSA-N. The full InChI is InChI=1S/C28H37N5O3/c34-26(9-8-20-15-29-24-5-2-1-4-23(20)24)30-22-10-12-31(13-11-22)28(36)32-16-19-14-21(18-32)25-6-3-7-27(35)33(25)17-19/h1-2,4-5,15,19,21-22,25,29H,3,6-14,16-18H2,(H,30,34)/t19?,21?,25-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide?
3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 491.64 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 134804606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).