(14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

C26H37N7O4 — CID 135095187

About (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

(14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione (PubChem CID 135095187) has the molecular formula C26H37N7O4 and a molecular weight of 511.63 g/mol. Its IUPAC name is (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione.

Molecular Properties

• Compound Name: (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
• PubChem CID: 135095187
• Molecular Formula: C26H37N7O4
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.29
• IUPAC Name: (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione
• SMILES: Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)[C@H]1CCCNC1)CCCNC(=O)[C@@H](C)NC2=O
• InChI: InChI=1S/C26H37N7O4/c1-18-7-8-22-23(14-18)37-13-5-12-33-17-21(30-31-33)16-32(26(36)20-6-3-9-27-15-20)11-4-10-28-24(34)19(2)29-25(22)35/h7-8,14,17,19-20,27H,3-6,9-13,15-16H2,1-2H3,(H,28,34)(H,29,35)/t19-,20+/m1/s1
• InChIKey: KCYYJCWIQSQOEL-UXHICEINSA-N
• XLogP: 1.02
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The IUPAC name of (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione (CID 135095187) is (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione.

What is the SMILES notation for (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The canonical SMILES for (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione is Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)[C@H]1CCCNC1)CCCNC(=O)[C@@H](C)NC2=O.

What is the InChIKey of (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

The InChIKey is KCYYJCWIQSQOEL-UXHICEINSA-N. The full InChI is InChI=1S/C26H37N7O4/c1-18-7-8-22-23(14-18)37-13-5-12-33-17-21(30-31-33)16-32(26(36)20-6-3-9-27-15-20)11-4-10-28-24(34)19(2)29-25(22)35/h7-8,14,17,19-20,27H,3-6,9-13,15-16H2,1-2H3,(H,28,34)(H,29,35)/t19-,20+/m1/s1.

What are the key properties of (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione?

(14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione has a molecular weight of 511.63 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (14R)-8,14-dimethyl-20-[(3S)-piperidine-3-carbonyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione is sourced from PubChem (CID 135095187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).