1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

C24H29N3O2 — CID 135120846

IUPAC1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESc1coc(CN2CCC(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-2-6-23-22(5-1)18(7-10-25-23)14-19-16-28-17-24(19)26-20-8-11-27(12-9-20)15-21-4-3-13-29-21/h1-7,10,13,19-20,24,26H,8-9,11-12,14-17H2/t19-,24-/m1/s1
InChIKeyOVTLQKKAFCXQGL-NTKDMRAZSA-N
MW391.51 g/mol
LogP3.64
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (PubChem CID 135120846) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
PubChem CID135120846
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
SMILESc1coc(CN2CCC(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-2-6-23-22(5-1)18(7-10-25-23)14-19-16-28-17-24(19)26-20-8-11-27(12-9-20)15-21-4-3-13-29-21/h1-7,10,13,19-20,24,26H,8-9,11-12,14-17H2/t19-,24-/m1/s1
InChIKeyOVTLQKKAFCXQGL-NTKDMRAZSA-N
XLogP3.64
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine with MolForge

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Related Compounds

1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 134713948
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135106936
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135090695
1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 135102157
1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
CID 135089561
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134701936

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine (CID 135120846) is 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is c1coc(CN2CCC(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)CC2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
The InChIKey is OVTLQKKAFCXQGL-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-6-23-22(5-1)18(7-10-25-23)14-19-16-28-17-24(19)26-20-8-11-27(12-9-20)15-21-4-3-13-29-21/h1-7,10,13,19-20,24,26H,8-9,11-12,14-17H2/t19-,24-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine?
1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine has a molecular weight of 391.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 135120846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).