(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide

C20H27N5O2 — CID 126700778

IUPAC(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2)C1CC1
InChIInChI=1S/C20H27N5O2/c21-19(26)17(13-5-6-13)22-14-11-15-18-16(12-14)27-10-4-9-25(18)20(23-15)24-7-2-1-3-8-24/h11-13,17,22H,1-10H2,(H2,21,26)/t17-/m0/s1
InChIKeyFVYNQUYDVKOQHZ-KRWDZBQOSA-N
MW369.47 g/mol
LogP2.48
Rot. Bonds5

About (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide

(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide (PubChem CID 126700778) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
PubChem CID126700778
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2)C1CC1
InChIInChI=1S/C20H27N5O2/c21-19(26)17(13-5-6-13)22-14-11-15-18-16(12-14)27-10-4-9-25(18)20(23-15)24-7-2-1-3-8-24/h11-13,17,22H,1-10H2,(H2,21,26)/t17-/m0/s1
InChIKeyFVYNQUYDVKOQHZ-KRWDZBQOSA-N
XLogP2.48
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The IUPAC name of (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide (CID 126700778) is (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide is NC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCCCC1)n3CCCO2)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The InChIKey is FVYNQUYDVKOQHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-19(26)17(13-5-6-13)22-14-11-15-18-16(12-14)27-10-4-9-25(18)20(23-15)24-7-2-1-3-8-24/h11-13,17,22H,1-10H2,(H2,21,26)/t17-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
(2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[(2-piperidin-1-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide is sourced from PubChem (CID 126700778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).