1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide

C17H28N4O3 — CID 71895053

IUPAC1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)NCCCN2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C17H28N4O3/c1-12-4-5-15(24-12)13(2)20-17(23)19-8-3-9-21-10-6-14(7-11-21)16(18)22/h4-5,13-14H,3,6-11H2,1-2H3,(H2,18,22)(H2,19,20,23)
InChIKeyCNFHLDTUZKQROG-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.54
Rot. Bonds7

About 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide

1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide (PubChem CID 71895053) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
PubChem CID71895053
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)NCCCN2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C17H28N4O3/c1-12-4-5-15(24-12)13(2)20-17(23)19-8-3-9-21-10-6-14(7-11-21)16(18)22/h4-5,13-14H,3,6-11H2,1-2H3,(H2,18,22)(H2,19,20,23)
InChIKeyCNFHLDTUZKQROG-UHFFFAOYSA-N
XLogP1.54
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993780
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
CID 10270719
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
CID 56798033
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide (CID 71895053) is 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)NCCCN2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide?
The InChIKey is CNFHLDTUZKQROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-4-5-15(24-12)13(2)20-17(23)19-8-3-9-21-10-6-14(7-11-21)16(18)22/h4-5,13-14H,3,6-11H2,1-2H3,(H2,18,22)(H2,19,20,23).
What are the key properties of 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide?
1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 71895053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).