1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide

C18H29N3O2 — CID 56723609

IUPAC1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(CN2CCCC(CCNC(=O)C3(N)CC3)C2)oc1C
InChIInChI=1S/C18H29N3O2/c1-13-10-16(23-14(13)2)12-21-9-3-4-15(11-21)5-8-20-17(22)18(19)6-7-18/h10,15H,3-9,11-12,19H2,1-2H3,(H,20,22)
InChIKeyYXPDNFZMBNPDBD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.11
Rot. Bonds6

About 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 56723609) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID56723609
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(CN2CCCC(CCNC(=O)C3(N)CC3)C2)oc1C
InChIInChI=1S/C18H29N3O2/c1-13-10-16(23-14(13)2)12-21-9-3-4-15(11-21)5-8-20-17(22)18(19)6-7-18/h10,15H,3-9,11-12,19H2,1-2H3,(H,20,22)
InChIKeyYXPDNFZMBNPDBD-UHFFFAOYSA-N
XLogP2.11
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide (CID 56723609) is 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide is Cc1cc(CN2CCCC(CCNC(=O)C3(N)CC3)C2)oc1C.
What is the InChIKey of 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is YXPDNFZMBNPDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-10-16(23-14(13)2)12-21-9-3-4-15(11-21)5-8-20-17(22)18(19)6-7-18/h10,15H,3-9,11-12,19H2,1-2H3,(H,20,22).
What are the key properties of 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56723609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).