N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide

C17H28N4O2S — CID 72852420

IUPACN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c22-16(5-4-8-20-6-2-1-3-7-20)18-13-15-14-24-17(19-15)21-9-11-23-12-10-21/h14H,1-13H2,(H,18,22)
InChIKeyRBWLUNNNBQHUJC-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.86
Rot. Bonds7

About N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide

N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72852420) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
PubChem CID72852420
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c22-16(5-4-8-20-6-2-1-3-7-20)18-13-15-14-24-17(19-15)21-9-11-23-12-10-21/h14H,1-13H2,(H,18,22)
InChIKeyRBWLUNNNBQHUJC-UHFFFAOYSA-N
XLogP1.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 46991432
2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91760407
(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
CID 143695893
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 72912535
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide (CID 72852420) is N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)NCc1csc(N2CCOCC2)n1.
What is the InChIKey of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is RBWLUNNNBQHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c22-16(5-4-8-20-6-2-1-3-7-20)18-13-15-14-24-17(19-15)21-9-11-23-12-10-21/h14H,1-13H2,(H,18,22).
What are the key properties of N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide?
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 352.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72852420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).