N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

C19H30N4O2S — CID 26318359

IUPACN-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1)NC1CC1
InChIInChI=1S/C19H30N4O2S/c24-18(21-16-4-5-16)6-3-15-2-1-7-22(13-15)14-17-12-20-19(26-17)23-8-10-25-11-9-23/h12,15-16H,1-11,13-14H2,(H,21,24)/t15-/m1/s1
InChIKeyPTCCJGOCLPORKU-OAHLLOKOSA-N
MW378.54 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 26318359) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
PubChem CID26318359
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1)NC1CC1
InChIInChI=1S/C19H30N4O2S/c24-18(21-16-4-5-16)6-3-15-2-1-7-22(13-15)14-17-12-20-19(26-17)23-8-10-25-11-9-23/h12,15-16H,1-11,13-14H2,(H,21,24)/t15-/m1/s1
InChIKeyPTCCJGOCLPORKU-OAHLLOKOSA-N
XLogP2.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 26318359) is N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is O=C(CC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is PTCCJGOCLPORKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2S/c24-18(21-16-4-5-16)6-3-15-2-1-7-22(13-15)14-17-12-20-19(26-17)23-8-10-25-11-9-23/h12,15-16H,1-11,13-14H2,(H,21,24)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 378.54 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26318359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).