1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one

C24H37N3O4 — CID 45224140

IUPAC1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1
InChIInChI=1S/C24H37N3O4/c1-4-25(5-2)20-10-14-27(18-20)24(29)19-6-8-21(9-7-19)31-22-11-15-26(16-12-22)23(28)13-17-30-3/h6-9,20,22H,4-5,10-18H2,1-3H3
InChIKeyHFTXHZCDZWRPSH-UHFFFAOYSA-N
MW431.58 g/mol
LogP2.65
Rot. Bonds9

About 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 45224140) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID45224140
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1
InChIInChI=1S/C24H37N3O4/c1-4-25(5-2)20-10-14-27(18-20)24(29)19-6-8-21(9-7-19)31-22-11-15-26(16-12-22)23(28)13-17-30-3/h6-9,20,22H,4-5,10-18H2,1-3H3
InChIKeyHFTXHZCDZWRPSH-UHFFFAOYSA-N
XLogP2.65
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one (CID 45224140) is 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one is CCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1.
What is the InChIKey of 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is HFTXHZCDZWRPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-4-25(5-2)20-10-14-27(18-20)24(29)19-6-8-21(9-7-19)31-22-11-15-26(16-12-22)23(28)13-17-30-3/h6-9,20,22H,4-5,10-18H2,1-3H3.
What are the key properties of 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one?
1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 431.58 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 45224140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).