N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide

C17H26N4O3S — CID 120578831

IUPACN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H26N4O3S/c18-7-4-15(22)20-11-14-3-1-2-9-21(14)16(23)5-8-19-17(24)13-6-10-25-12-13/h6,10,12,14H,1-5,7-9,11,18H2,(H,19,24)(H,20,22)
InChIKeyOGWPQGUXTNDHIR-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.71
Rot. Bonds8

About N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 120578831) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID120578831
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H26N4O3S/c18-7-4-15(22)20-11-14-3-1-2-9-21(14)16(23)5-8-19-17(24)13-6-10-25-12-13/h6,10,12,14H,1-5,7-9,11,18H2,(H,19,24)(H,20,22)
InChIKeyOGWPQGUXTNDHIR-UHFFFAOYSA-N
XLogP0.71
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579536

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide (CID 120578831) is N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is NCCC(=O)NCC1CCCCN1C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is OGWPQGUXTNDHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c18-7-4-15(22)20-11-14-3-1-2-9-21(14)16(23)5-8-19-17(24)13-6-10-25-12-13/h6,10,12,14H,1-5,7-9,11,18H2,(H,19,24)(H,20,22).
What are the key properties of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 120578831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).