N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide

C19H28N2O3 — CID 42565060

IUPACN-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide
SMILESCOc1cccc2c1OC[C@@H](N1CCC(CCNC(C)=O)CC1)C2
InChIInChI=1S/C19H28N2O3/c1-14(22)20-9-6-15-7-10-21(11-8-15)17-12-16-4-3-5-18(23-2)19(16)24-13-17/h3-5,15,17H,6-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyUVBNHGKVKUPBLI-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide

N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide (PubChem CID 42565060) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide
PubChem CID42565060
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide
SMILESCOc1cccc2c1OC[C@@H](N1CCC(CCNC(C)=O)CC1)C2
InChIInChI=1S/C19H28N2O3/c1-14(22)20-9-6-15-7-10-21(11-8-15)17-12-16-4-3-5-18(23-2)19(16)24-13-17/h3-5,15,17H,6-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyUVBNHGKVKUPBLI-KRWDZBQOSA-N
XLogP2.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide (CID 42565060) is N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide is COc1cccc2c1OC[C@@H](N1CCC(CCNC(C)=O)CC1)C2.
What is the InChIKey of N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is UVBNHGKVKUPBLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)20-9-6-15-7-10-21(11-8-15)17-12-16-4-3-5-18(23-2)19(16)24-13-17/h3-5,15,17H,6-13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide?
N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 42565060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).